CID 5273824

N-(1-benzotriazolecarbonyl)-l-phenylalanine cyclopentylamide

Structural Information

Molecular Formula
C21H23N5O2
SMILES
C1CCC(C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)N3C4=CC=CC=C4N=N3
InChI
InChI=1S/C21H23N5O2/c27-20(22-16-10-4-5-11-16)18(14-15-8-2-1-3-9-15)23-21(28)26-19-13-7-6-12-17(19)24-25-26/h1-3,6-9,12-13,16,18H,4-5,10-11,14H2,(H,22,27)(H,23,28)/t18-/m0/s1
InChIKey
UHDFKZQJFVDYLF-SFHVURJKSA-N
Compound name
N-[(2S)-1-(cyclopentylamino)-1-oxo-3-phenylpropan-2-yl]benzotriazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.18518 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.192456 186.1
[M+Na]+ 400.174398 189.3
[M-H]- 376.177904 192.8
[M+NH4]+ 395.219003 196.7
[M+K]+ 416.148338 184.9
[M+H-H2O]+ 360.182440 175.1
[M+HCOO]- 422.183381 205.3
[M+CH3COO]- 436.199031 194.4
[M+Na-2H]- 398.159846 187.0
[M]+ 377.18463142 184.1
[M]- 377.18572858 184.1
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.