CID 3749162

18094-25-2

Structural Information

Molecular Formula
C12H12ClN3
SMILES
C1CNC(C2=C1NC=N2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C12H12ClN3/c13-9-3-1-2-8(6-9)11-12-10(4-5-14-11)15-7-16-12/h1-3,6-7,11,14H,4-5H2,(H,15,16)
InChIKey
SCWUUGGZFNAMCV-UHFFFAOYSA-N
Compound name
4-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

233.07198 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07926 151.2
[M+Na]+ 256.06120 159.8
[M-H]- 232.06470 151.6
[M+NH4]+ 251.10580 167.1
[M+K]+ 272.03514 152.3
[M+H-H2O]+ 216.06924 142.8
[M+HCOO]- 278.07018 162.2
[M+CH3COO]- 292.08583 161.6
[M+Na-2H]- 254.04665 155.4
[M]+ 233.07143 146.8
[M]- 233.07253 146.8
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

No patent data available for this compound.