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 194.5
[M+Na]+ 440.08062 202.6
[M-H]- 416.08412 201.7
[M+NH4]+ 435.12522 203.2
[M+K]+ 456.05456 197.2
[M+H-H2O]+ 400.08866 185.1
[M+HCOO]- 462.08960 200.7
[M+CH3COO]- 476.10525 203.2
[M+Na-2H]- 438.06607 193.3
[M]+ 417.09085 199.1
[M]- 417.09195 199.1
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