CID 3042256

Crl 40053

Structural Information

Molecular Formula
C20H20ClN3O3S
SMILES
C1COCCN1CCS(=O)C2=NC3=CC=CC=C3N2C(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H20ClN3O3S/c21-16-7-5-15(6-8-16)19(25)24-18-4-2-1-3-17(18)22-20(24)28(26)14-11-23-9-12-27-13-10-23/h1-8H,9-14H2
InChIKey
HIZXWWLVASOJOO-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-[2-(2-morpholin-4-ylethylsulfinyl)benzimidazol-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

417.0914 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.09868 192.7
[M+Na]+ 440.08062 207.6
[M+NH4]+ 435.12522 199.8
[M+K]+ 456.05456 200.0
[M-H]- 416.08412 198.2
[M+Na-2H]- 438.06607 199.5
[M]+ 417.09085 197.1
[M]- 417.09195 197.1
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

patents stripe