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 191.5
[M+Na]+ 416.16930 201.6
[M+NH4]+ 411.21390 196.4
[M+K]+ 432.14324 199.8
[M-H]- 392.17280 195.0
[M+Na-2H]- 414.15475 197.5
[M]+ 393.17953 193.4
[M]- 393.18063 193.4
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.