CID 1098322

174503-69-6

Structural Information

Molecular Formula
C18H12Cl2N2OS
SMILES
CSC1=NC2=CC(=C(C=C2N1)Cl)OC3=C(C4=CC=CC=C4C=C3)Cl
InChI
InChI=1S/C18H12Cl2N2OS/c1-24-18-21-13-8-12(19)16(9-14(13)22-18)23-15-7-6-10-4-2-3-5-11(10)17(15)20/h2-9H,1H3,(H,21,22)
InChIKey
DIRWTZXEMWXPIK-UHFFFAOYSA-N
Compound name
6-chloro-5-(1-chloronaphthalen-2-yl)oxy-2-methylsulfanyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.00473 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.01201 181.0
[M+Na]+ 396.99395 195.0
[M-H]- 372.99745 186.4
[M+NH4]+ 392.03855 196.5
[M+K]+ 412.96789 186.0
[M+H-H2O]+ 357.00199 174.5
[M+HCOO]- 419.00293 187.3
[M+CH3COO]- 433.01858 192.2
[M+Na-2H]- 394.97940 183.3
[M]+ 374.00418 189.6
[M]- 374.00528 189.6
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

No patent data available for this compound.