CID 6481784

2,4-dichloro-n-[2-(imidazol-1-ylmethyl)phenyl]benzamide

Structural Information

Molecular Formula
C17H13Cl2N3O
SMILES
C1=CC=C(C(=C1)CN2C=CN=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H13Cl2N3O/c18-13-5-6-14(15(19)9-13)17(23)21-16-4-2-1-3-12(16)10-22-8-7-20-11-22/h1-9,11H,10H2,(H,21,23)
InChIKey
VNHRMTOYRQSKGH-UHFFFAOYSA-N
Compound name
2,4-dichloro-N-[2-(imidazol-1-ylmethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.04358 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.05086 178.0
[M+Na]+ 368.03280 187.4
[M-H]- 344.03630 184.6
[M+NH4]+ 363.07740 191.1
[M+K]+ 384.00674 179.6
[M+H-H2O]+ 328.04084 168.5
[M+HCOO]- 390.04178 191.2
[M+CH3COO]- 404.05743 188.5
[M+Na-2H]- 366.01825 179.8
[M]+ 345.04303 181.3
[M]- 345.04413 181.3
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.