CID 6481794

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

Structural Information

Molecular Formula

C₁₇H₁₄ClN₃O

SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)CN3C=CN=C3)Cl

InChI

InChI=1S/C17H14ClN3O/c18-16-7-2-1-6-15(16)17(22)20-14-5-3-4-13(10-14)11-21-9-8-19-12-21/h1-10,12H,11H2,(H,20,22)

InChIKey

KUOADHKRLOLKTE-UHFFFAOYSA-N

Compound name

2-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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.