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]+ 378.19246 186.1
[M+Na]+ 400.17440 189.3
[M-H]- 376.17790 192.8
[M+NH4]+ 395.21900 196.7
[M+K]+ 416.14834 184.9
[M+H-H2O]+ 360.18244 175.1
[M+HCOO]- 422.18338 205.3
[M+CH3COO]- 436.19903 194.4
[M+Na-2H]- 398.15985 187.0
[M]+ 377.18463 184.1
[M]- 377.18573 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.