PubChemLite - Collagens (C25H48N4O5)

Structural Information

Molecular Formula

SMILES

CCCCNC(=O)C(C)CC(C(CC(C)C)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C)O

InChI

InChI=1S/C25H48N4O5/c1-9-10-11-26-23(32)17(6)14-22(31)20(12-15(2)3)29-24(33)18(7)27-25(34)21(13-16(4)5)28-19(8)30/h15-18,20-22,31H,9-14H2,1-8H3,(H,26,32)(H,27,34)(H,28,30)(H,29,33)

InChIKey

YBUAWZQWIXYUFU-UHFFFAOYSA-N

Compound name

5-[2-[(2-acetamido-4-methylpentanoyl)amino]propanoylamino]-N-butyl-4-hydroxy-2,7-dimethyloctanamide

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]+	485.36974	225.9
[M+Na]+	507.35168	240.7
[M-H]-	483.35518	237.1
[M+NH4]+	502.39628	237.1
[M+K]+	523.32562	237.9
[M+H-H2O]+	467.35972	227.6
[M+HCOO]-	529.36066	207.0
[M+CH3COO]-	543.37631	255.3
[M+Na-2H]-	505.33713	219.1
[M]+	484.36191	216.7
[M]-	484.36301	216.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

485.36974

225.9

[M+Na]+

507.35168

240.7

[M-H]-

483.35518

237.1

[M+NH4]+

502.39628

237.1

[M+K]+

523.32562

237.9

[M+H-H2O]+

467.35972

227.6

[M+HCOO]-

529.36066

207.0

[M+CH3COO]-

543.37631

255.3

[M+Na-2H]-

505.33713

219.1

[M]+

484.36191

216.7

[M]-

484.36301

216.7

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

Collagens

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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