PubChemLite - Aspartamide, n2-[(9h-fluoren-9-ylmethoxy)carbonyl]lysyl-n1-(9-aminononyl)- (C34H50N6O5)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NCCCCCCCCCN

InChI

InChI=1S/C34H50N6O5/c35-19-11-4-2-1-3-5-13-21-38-32(42)30(22-31(37)41)39-33(43)29(18-10-12-20-36)40-34(44)45-23-28-26-16-8-6-14-24(26)25-15-7-9-17-27(25)28/h6-9,14-17,28-30H,1-5,10-13,18-23,35-36H2,(H2,37,41)(H,38,42)(H,39,43)(H,40,44)

InChIKey

UVBADOIRBSZZAA-UHFFFAOYSA-N

Compound name

9H-fluoren-9-ylmethyl N-[6-amino-1-[[4-amino-1-(9-aminononylamino)-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]carbamate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	623.39158	248.5
[M+Na]+	645.37352	242.1
[M-H]-	621.37702	248.9
[M+NH4]+	640.41812	250.2
[M+K]+	661.34746	240.5
[M+H-H2O]+	605.38156	238.0
[M+HCOO]-	667.38250	264.5
[M+CH3COO]-	681.39815	282.3
[M+Na-2H]-	643.35897	242.3
[M]+	622.38375	249.0
[M]-	622.38485	249.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

623.39158

248.5

[M+Na]+

645.37352

242.1

[M-H]-

621.37702

248.9

[M+NH4]+

640.41812

250.2

[M+K]+

661.34746

240.5

[M+H-H2O]+

605.38156

238.0

[M+HCOO]-

667.38250

264.5

[M+CH3COO]-

681.39815

282.3

[M+Na-2H]-

643.35897

242.3

[M]+

622.38375

249.0

[M]-

622.38485

249.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Aspartamide, n2-[(9h-fluoren-9-ylmethoxy)carbonyl]lysyl-n1-(9-aminononyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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