CID 581705

174503-48-1

Structural Information

Molecular Formula
C18H13ClN2OS
SMILES
CSC1=NC2=CC(=C(C=C2N1)Cl)OC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C18H13ClN2OS/c1-23-18-20-15-9-14(19)17(10-16(15)21-18)22-13-7-6-11-4-2-3-5-12(11)8-13/h2-10H,1H3,(H,20,21)
InChIKey
CXAMQNQDJFZVFJ-UHFFFAOYSA-N
Compound name
6-chloro-2-methylsulfanyl-5-naphthalen-2-yloxy-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

340.0437 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.05098 175.1
[M+Na]+ 363.03292 188.2
[M-H]- 339.03642 180.9
[M+NH4]+ 358.07752 191.3
[M+K]+ 379.00686 179.7
[M+H-H2O]+ 323.04096 168.0
[M+HCOO]- 385.04190 186.6
[M+CH3COO]- 399.05755 186.8
[M+Na-2H]- 361.01837 178.8
[M]+ 340.04315 182.2
[M]- 340.04425 182.2
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.