CID 491949

2-[[5,6-dichloro-2-(2-pyridylmethylsulfanyl)benzimidazol-1-yl]methoxy]ethanol

Structural Information

Molecular Formula
C16H15Cl2N3O2S
SMILES
C1=CC=NC(=C1)CSC2=NC3=CC(=C(C=C3N2COCCO)Cl)Cl
InChI
InChI=1S/C16H15Cl2N3O2S/c17-12-7-14-15(8-13(12)18)21(10-23-6-5-22)16(20-14)24-9-11-3-1-2-4-19-11/h1-4,7-8,22H,5-6,9-10H2
InChIKey
AOIFWWRMBNZFAB-UHFFFAOYSA-N
Compound name
2-[[5,6-dichloro-2-(pyridin-2-ylmethylsulfanyl)benzimidazol-1-yl]methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.0262 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.03348 181.2
[M+Na]+ 406.01542 193.4
[M-H]- 382.01892 184.0
[M+NH4]+ 401.06002 193.7
[M+K]+ 421.98936 185.5
[M+H-H2O]+ 366.02346 173.6
[M+HCOO]- 428.02440 187.1
[M+CH3COO]- 442.04005 191.4
[M+Na-2H]- 404.00087 182.2
[M]+ 383.02565 191.1
[M]- 383.02675 191.1
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

No patent data available for this compound.