CID 2782

Clemizole

Structural Information

Molecular Formula
C19H20ClN3
SMILES
C1CCN(C1)CC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2
InChIKey
CJXAEXPPLWQRFR-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

68
References

5276
Patents

325.13458 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14186 176.2
[M+Na]+ 348.12380 192.5
[M+NH4]+ 343.16840 185.6
[M+K]+ 364.09774 185.9
[M-H]- 324.12730 181.8
[M+Na-2H]- 346.10925 185.4
[M]+ 325.13403 180.6
[M]- 325.13513 180.6
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

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