CID 5273757

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

Structural Information

Molecular Formula
C18H25N5O2
SMILES
CC(C)C[C@@H](C(=O)NC1CCCC1)NC(=O)N2C3=CC=CC=C3N=N2
InChI
InChI=1S/C18H25N5O2/c1-12(2)11-15(17(24)19-13-7-3-4-8-13)20-18(25)23-16-10-6-5-9-14(16)21-22-23/h5-6,9-10,12-13,15H,3-4,7-8,11H2,1-2H3,(H,19,24)(H,20,25)/t15-/m0/s1
InChIKey
RFKUBOZFWYRRIB-HNNXBMFYSA-N
Compound name
N-[(2S)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl]benzotriazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.20084 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.20812 181.9
[M+Na]+ 366.19006 185.0
[M-H]- 342.19356 185.6
[M+NH4]+ 361.23466 194.5
[M+K]+ 382.16400 182.5
[M+H-H2O]+ 326.19810 172.2
[M+HCOO]- 388.19904 199.9
[M+CH3COO]- 402.21469 215.2
[M+Na-2H]- 364.17551 180.9
[M]+ 343.20029 180.9
[M]- 343.20139 180.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.