CID 53128433

N-benzyl-2-[(cyclopentylcarbamoyl)methyl]-3-oxo-2h,3h-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

Structural Information

Molecular Formula
C21H23N5O3
SMILES
C1CCC(C1)NC(=O)CN2C(=O)N3C=C(C=CC3=N2)C(=O)NCC4=CC=CC=C4
InChI
InChI=1S/C21H23N5O3/c27-19(23-17-8-4-5-9-17)14-26-21(29)25-13-16(10-11-18(25)24-26)20(28)22-12-15-6-2-1-3-7-15/h1-3,6-7,10-11,13,17H,4-5,8-9,12,14H2,(H,22,28)(H,23,27)
InChIKey
MFEBXBNFFIDUAG-UHFFFAOYSA-N
Compound name
N-benzyl-2-[2-(cyclopentylamino)-2-oxoethyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.18008 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.18736 189.7
[M+Na]+ 416.16930 195.0
[M-H]- 392.17280 197.1
[M+NH4]+ 411.21390 200.1
[M+K]+ 432.14324 190.0
[M+H-H2O]+ 376.17734 179.0
[M+HCOO]- 438.17828 210.2
[M+CH3COO]- 452.19393 198.6
[M+Na-2H]- 414.15475 190.3
[M]+ 393.17953 189.8
[M]- 393.18063 189.8
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.