CID 2812

Clotrimazole

Structural Information

Molecular Formula
C22H17ClN2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4
InChI
InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
InChIKey
VNFPBHJOKIVQEB-UHFFFAOYSA-N
Compound name
1-[(2-chlorophenyl)-diphenylmethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

2679
References

77050
Patents

344.10803 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.11531 184.5
[M+Na]+ 367.09725 203.0
[M+NH4]+ 362.14185 194.2
[M+K]+ 383.07119 193.6
[M-H]- 343.10075 192.8
[M+Na-2H]- 365.08270 198.9
[M]+ 344.10748 190.2
[M]- 344.10858 190.2
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

patents stripe