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]+ 225.11348 149.3
[M+Na]+ 247.09542 160.5
[M-H]- 223.09892 152.5
[M+NH4]+ 242.14002 165.5
[M+K]+ 263.06936 154.0
[M+H-H2O]+ 207.10346 140.6
[M+HCOO]- 269.10440 171.0
[M+CH3COO]- 283.12005 161.8
[M+Na-2H]- 245.08087 156.2
[M]+ 224.10565 148.4
[M]- 224.10675 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.