CID 24812718

N'-(6-aminopyridin-3-yl)-n-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide

Structural Information

Molecular Formula
C21H26N4O2
SMILES
CC1=C(C=C(C=C1)C(=O)NCCC2CCCC2)C(=O)NC3=CN=C(C=C3)N
InChI
InChI=1S/C21H26N4O2/c1-14-6-7-16(20(26)23-11-10-15-4-2-3-5-15)12-18(14)21(27)25-17-8-9-19(22)24-13-17/h6-9,12-13,15H,2-5,10-11H2,1H3,(H2,22,24)(H,23,26)(H,25,27)
InChIKey
CLEGTVIMOPPIBR-UHFFFAOYSA-N
Compound name
3-N-(6-aminopyridin-3-yl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

71
Patents

366.20557 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.21285 188.3
[M+Na]+ 389.19479 190.9
[M-H]- 365.19829 195.7
[M+NH4]+ 384.23939 199.3
[M+K]+ 405.16873 186.2
[M+H-H2O]+ 349.20283 178.2
[M+HCOO]- 411.20377 209.5
[M+CH3COO]- 425.21942 223.3
[M+Na-2H]- 387.18024 187.0
[M]+ 366.20502 183.9
[M]- 366.20612 183.9
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

patents stripe