PubChemLite - Fmoc-asn(trt)-oh (C38H32N2O5)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)C[C@@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C38H32N2O5/c41-35(40-38(26-14-4-1-5-15-26,27-16-6-2-7-17-27)28-18-8-3-9-19-28)24-34(36(42)43)39-37(44)45-25-33-31-22-12-10-20-29(31)30-21-11-13-23-32(30)33/h1-23,33-34H,24-25H2,(H,39,44)(H,40,41)(H,42,43)/t34-/m0/s1

InChIKey

KJYAFJQCGPUXJY-UMSFTDKQSA-N

Compound name

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(tritylamino)butanoic acid

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]+	597.23842	237.7
[M+Na]+	619.22036	235.9
[M-H]-	595.22386	248.4
[M+NH4]+	614.26496	239.8
[M+K]+	635.19430	231.5
[M+H-H2O]+	579.22840	226.1
[M+HCOO]-	641.22934	251.8
[M+CH3COO]-	655.24499	241.2
[M+Na-2H]-	617.20581	238.6
[M]+	596.23059	236.4
[M]-	596.23169	236.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

597.23842

237.7

[M+Na]+

619.22036

235.9

[M-H]-

595.22386

248.4

[M+NH4]+

614.26496

239.8

[M+K]+

635.19430

231.5

[M+H-H2O]+

579.22840

226.1

[M+HCOO]-

641.22934

251.8

[M+CH3COO]-

655.24499

241.2

[M+Na-2H]-

617.20581

238.6

[M]+

596.23059

236.4

[M]-

596.23169

236.4

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

Fmoc-asn(trt)-oh

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe