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]+ 234.079256 151.2
[M+Na]+ 256.061198 159.8
[M-H]- 232.064704 151.6
[M+NH4]+ 251.105803 167.1
[M+K]+ 272.035138 152.3
[M+H-H2O]+ 216.069240 142.8
[M+HCOO]- 278.070181 162.2
[M+CH3COO]- 292.085831 161.6
[M+Na-2H]- 254.046646 155.4
[M]+ 233.07143142 146.8
[M]- 233.07252858 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.