CID 13150256

1-phenyl-1h,4h,5h,6h,7h-imidazo[4,5-c]pyridine

Structural Information

Molecular Formula
C12H13N3
SMILES
C1CNCC2=C1N(C=N2)C3=CC=CC=C3
InChI
InChI=1S/C12H13N3/c1-2-4-10(5-3-1)15-9-14-11-8-13-7-6-12(11)15/h1-5,9,13H,6-8H2
InChIKey
YDZXAXIEQPOBPZ-UHFFFAOYSA-N
Compound name
1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

199.11095 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.118226 143.8
[M+Na]+ 222.100168 151.2
[M-H]- 198.103674 145.6
[M+NH4]+ 217.144773 160.7
[M+K]+ 238.074108 146.2
[M+H-H2O]+ 182.108210 134.7
[M+HCOO]- 244.109151 161.1
[M+CH3COO]- 258.124801 155.1
[M+Na-2H]- 220.085616 149.9
[M]+ 199.11040142 139.0
[M]- 199.11149858 139.0
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

patents stripe