CID 460420

N-benzyl-n^2-acetyllysinamide

Structural Information

Molecular Formula
C15H23N3O2
SMILES
CC(=O)N[C@@H](CCCCN)C(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C15H23N3O2/c1-12(19)18-14(9-5-6-10-16)15(20)17-11-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-11,16H2,1H3,(H,17,20)(H,18,19)/t14-/m0/s1
InChIKey
YPNZVOZZUZERMK-AWEZNQCLSA-N
Compound name
(2S)-2-acetamido-6-amino-N-benzylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.17902 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.18630 168.8
[M+Na]+ 300.16824 170.8
[M-H]- 276.17174 170.8
[M+NH4]+ 295.21284 183.1
[M+K]+ 316.14218 168.5
[M+H-H2O]+ 260.17628 160.6
[M+HCOO]- 322.17722 191.6
[M+CH3COO]- 336.19287 207.5
[M+Na-2H]- 298.15369 169.9
[M]+ 277.17847 166.9
[M]- 277.17957 166.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.