CID 460419

(2s)-2-acetamido-n-benzyl-5-(benzylamino)pentanamide

Structural Information

Molecular Formula
C21H27N3O2
SMILES
CC(=O)N[C@@H](CCCNCC1=CC=CC=C1)C(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C21H27N3O2/c1-17(25)24-20(21(26)23-16-19-11-6-3-7-12-19)13-8-14-22-15-18-9-4-2-5-10-18/h2-7,9-12,20,22H,8,13-16H2,1H3,(H,23,26)(H,24,25)/t20-/m0/s1
InChIKey
FLBOTHDKXBBJME-FQEVSTJZSA-N
Compound name
(2S)-2-acetamido-N-benzyl-5-(benzylamino)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.21033 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.21761 187.6
[M+Na]+ 376.19955 188.1
[M-H]- 352.20305 192.5
[M+NH4]+ 371.24415 198.5
[M+K]+ 392.17349 184.2
[M+H-H2O]+ 336.20759 177.7
[M+HCOO]- 398.20853 210.4
[M+CH3COO]- 412.22418 221.8
[M+Na-2H]- 374.18500 189.6
[M]+ 353.20978 186.3
[M]- 353.21088 186.3
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

No patent data available for this compound.