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]+ 225.11348 149.1
[M+Na]+ 247.09542 160.7
[M-H]- 223.09892 153.6
[M+NH4]+ 242.14002 166.1
[M+K]+ 263.06936 155.1
[M+H-H2O]+ 207.10346 140.1
[M+HCOO]- 269.10440 172.3
[M+CH3COO]- 283.12005 162.3
[M+Na-2H]- 245.08087 156.4
[M]+ 224.10565 150.0
[M]- 224.10675 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.