CID 5273753

Benzotriazole-1-carboxylic acid, (1-cyclopentylcarbamoyl-2-methyl-propyl)-amide

Structural Information

Molecular Formula
C17H23N5O2
SMILES
CC(C)[C@@H](C(=O)NC1CCCC1)NC(=O)N2C3=CC=CC=C3N=N2
InChI
InChI=1S/C17H23N5O2/c1-11(2)15(16(23)18-12-7-3-4-8-12)19-17(24)22-14-10-6-5-9-13(14)20-21-22/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,18,23)(H,19,24)/t15-/m0/s1
InChIKey
GOBKVUOSMJDFOP-HNNXBMFYSA-N
Compound name
N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzotriazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.18518 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.19246 177.5
[M+Na]+ 352.17440 181.1
[M-H]- 328.17790 181.4
[M+NH4]+ 347.21900 190.7
[M+K]+ 368.14834 178.7
[M+H-H2O]+ 312.18244 168.0
[M+HCOO]- 374.18338 195.9
[M+CH3COO]- 388.19903 212.3
[M+Na-2H]- 350.15985 177.0
[M]+ 329.18463 176.1
[M]- 329.18573 176.1
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.