CID 1530

Phip

Structural Information

Molecular Formula
C13H12N4
SMILES
CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1N
InChI
InChI=1S/C13H12N4/c1-17-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16)
InChIKey
UQVKZNNCIHJZLS-UHFFFAOYSA-N
Compound name
1-methyl-6-phenylimidazo[4,5-b]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1067
References

1595
Patents

224.1062 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.113476 149.1
[M+Na]+ 247.095418 160.7
[M-H]- 223.098924 153.6
[M+NH4]+ 242.140023 166.1
[M+K]+ 263.069358 155.1
[M+H-H2O]+ 207.103460 140.1
[M+HCOO]- 269.104401 172.3
[M+CH3COO]- 283.120051 162.3
[M+Na-2H]- 245.080866 156.4
[M]+ 224.10565142 150.0
[M]- 224.10674858 150.0
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