CID 460418

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

Structural Information

Molecular Formula
C17H27N3O2
SMILES
CCCNCCC[C@@H](C(=O)NCC1=CC=CC=C1)NC(=O)C
InChI
InChI=1S/C17H27N3O2/c1-3-11-18-12-7-10-16(20-14(2)21)17(22)19-13-15-8-5-4-6-9-15/h4-6,8-9,16,18H,3,7,10-13H2,1-2H3,(H,19,22)(H,20,21)/t16-/m0/s1
InChIKey
DQIRFHLBFCRCLK-INIZCTEOSA-N
Compound name
(2S)-2-acetamido-N-benzyl-5-(propylamino)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.21033 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.21761 177.5
[M+Na]+ 328.19955 178.6
[M-H]- 304.20305 179.5
[M+NH4]+ 323.24415 190.9
[M+K]+ 344.17349 176.2
[M+H-H2O]+ 288.20759 168.9
[M+HCOO]- 350.20853 200.2
[M+CH3COO]- 364.22418 214.1
[M+Na-2H]- 326.18500 178.6
[M]+ 305.20978 177.3
[M]- 305.21088 177.3
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.