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
9
Annotation Hits

2683
References

79260
Patents

344.10803 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.115306 183.0
[M+Na]+ 367.097248 190.6
[M-H]- 343.100754 192.3
[M+NH4]+ 362.141853 194.8
[M+K]+ 383.071188 182.1
[M+H-H2O]+ 327.105290 171.7
[M+HCOO]- 389.106231 198.6
[M+CH3COO]- 403.121881 193.0
[M+Na-2H]- 365.082696 187.6
[M]+ 344.10748142 183.1
[M]- 344.10857858 183.1
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