CID 108851

N2-(1-oxohexadecyl)-l-lysine

Structural Information

Molecular Formula
C22H44N2O3
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)O
InChI
InChI=1S/C22H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21(25)24-20(22(26)27)17-15-16-19-23/h20H,2-19,23H2,1H3,(H,24,25)(H,26,27)/t20-/m0/s1
InChIKey
OLDGKSQBWGEFNM-FQEVSTJZSA-N
Compound name
(2S)-6-amino-2-(hexadecanoylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

651
Patents

384.3352 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.342476 206.3
[M+Na]+ 407.324418 204.4
[M-H]- 383.327924 201.6
[M+NH4]+ 402.369023 213.4
[M+K]+ 423.298358 200.7
[M+H-H2O]+ 367.332460 197.9
[M+HCOO]- 429.333401 217.6
[M+CH3COO]- 443.349051 227.9
[M+Na-2H]- 405.309866 200.2
[M]+ 384.33465142 209.8
[M]- 384.33574858 209.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe