CID 467846

Chembl353403

Structural Information

Molecular Formula
C17H16Cl2N2O2S
SMILES
C1=CC=C(C=C1)CSC2=NC3=CC(=C(C=C3N2COCCO)Cl)Cl
InChI
InChI=1S/C17H16Cl2N2O2S/c18-13-8-15-16(9-14(13)19)21(11-23-7-6-22)17(20-15)24-10-12-4-2-1-3-5-12/h1-5,8-9,22H,6-7,10-11H2
InChIKey
HYPYSWCEUMGQAT-UHFFFAOYSA-N
Compound name
2-[(2-benzylsulfanyl-5,6-dichlorobenzimidazol-1-yl)methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.03094 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.03822 182.5
[M+Na]+ 405.02016 194.4
[M-H]- 381.02366 186.6
[M+NH4]+ 400.06476 196.5
[M+K]+ 420.99410 186.4
[M+H-H2O]+ 365.02820 175.7
[M+HCOO]- 427.02914 189.5
[M+CH3COO]- 441.04479 193.1
[M+Na-2H]- 403.00561 183.2
[M]+ 382.03039 192.5
[M]- 382.03149 192.5
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

No patent data available for this compound.