CID 256467

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

Structural Information

Molecular Formula
C12H13N3
SMILES
C1CNC(C2=C1NC=N2)C3=CC=CC=C3
InChI
InChI=1S/C12H13N3/c1-2-4-9(5-3-1)11-12-10(6-7-13-11)14-8-15-12/h1-5,8,11,13H,6-7H2,(H,14,15)
InChIKey
SHIJOLLBBCZWON-UHFFFAOYSA-N
Compound name
4-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

11
Patents

199.11095 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.11823 144.0
[M+Na]+ 222.10017 151.1
[M-H]- 198.10367 144.5
[M+NH4]+ 217.14477 160.2
[M+K]+ 238.07411 145.1
[M+H-H2O]+ 182.10821 135.3
[M+HCOO]- 244.10915 159.9
[M+CH3COO]- 258.12480 154.7
[M+Na-2H]- 220.08562 149.7
[M]+ 199.11040 137.4
[M]- 199.11150 137.4
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