CID 81136803

3-{5-methyl-3h-imidazo[4,5-b]pyridin-2-yl}aniline

Structural Information

Molecular Formula
C13H12N4
SMILES
CC1=NC2=C(C=C1)NC(=N2)C3=CC(=CC=C3)N
InChI
InChI=1S/C13H12N4/c1-8-5-6-11-13(15-8)17-12(16-11)9-3-2-4-10(14)7-9/h2-7H,14H2,1H3,(H,15,16,17)
InChIKey
QURTZHHRUVDDGZ-UHFFFAOYSA-N
Compound name
3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.1062 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.113476 149.3
[M+Na]+ 247.095418 160.5
[M-H]- 223.098924 152.5
[M+NH4]+ 242.140023 165.5
[M+K]+ 263.069358 154.0
[M+H-H2O]+ 207.103460 140.6
[M+HCOO]- 269.104401 171.0
[M+CH3COO]- 283.120051 161.8
[M+Na-2H]- 245.080866 156.2
[M]+ 224.10565142 148.4
[M]- 224.10674858 148.4
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.