CID 6481795

3-chloro-n-[3-(imidazol-1-ylmethyl)phenyl]benzamide

Structural Information

Molecular Formula
C17H14ClN3O
SMILES
C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)Cl)CN3C=CN=C3
InChI
InChI=1S/C17H14ClN3O/c18-15-5-2-4-14(10-15)17(22)20-16-6-1-3-13(9-16)11-21-8-7-19-12-21/h1-10,12H,11H2,(H,20,22)
InChIKey
XVRYBLWHPQZCPW-UHFFFAOYSA-N
Compound name
3-chloro-N-[3-(imidazol-1-ylmethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.08255 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.089826 171.1
[M+Na]+ 334.071768 179.3
[M-H]- 310.075274 178.3
[M+NH4]+ 329.116373 184.9
[M+K]+ 350.045708 172.6
[M+H-H2O]+ 294.079810 161.3
[M+HCOO]- 356.080751 189.7
[M+CH3COO]- 370.096401 182.2
[M+Na-2H]- 332.057216 174.6
[M]+ 311.08200142 172.7
[M]- 311.08309858 172.7
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.