CID 471647

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

Structural Information

Molecular Formula
C17H14ClN3O
SMILES
C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)Cl)CN3C=CN=C3
InChI
InChI=1S/C17H14ClN3O/c18-15-6-4-14(5-7-15)17(22)20-16-3-1-2-13(10-16)11-21-9-8-19-12-21/h1-10,12H,11H2,(H,20,22)
InChIKey
AMBBJBSGVVKCPV-UHFFFAOYSA-N
Compound name
4-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]+ 312.08983 171.1
[M+Na]+ 334.07177 179.3
[M-H]- 310.07527 178.3
[M+NH4]+ 329.11637 184.9
[M+K]+ 350.04571 172.6
[M+H-H2O]+ 294.07981 161.3
[M+HCOO]- 356.08075 189.7
[M+CH3COO]- 370.09640 182.2
[M+Na-2H]- 332.05722 174.6
[M]+ 311.08200 172.7
[M]- 311.08310 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.