CID 3075294

G 1593

Structural Information

Molecular Formula
C18H12BrClN2OS
SMILES
CSC1=NC2=CC(=C(C=C2N1)Cl)OC3=C(C4=CC=CC=C4C=C3)Br
InChI
InChI=1S/C18H12BrClN2OS/c1-24-18-21-13-8-12(20)16(9-14(13)22-18)23-15-7-6-10-4-2-3-5-11(10)17(15)19/h2-9H,1H3,(H,21,22)
InChIKey
OJQYWUNNGYNTPL-UHFFFAOYSA-N
Compound name
5-(1-bromonaphthalen-2-yl)oxy-6-chloro-2-methylsulfanyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.95422 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.96150 178.8
[M+Na]+ 440.94344 187.2
[M+NH4]+ 435.98804 185.0
[M+K]+ 456.91738 183.4
[M-H]- 416.94694 182.2
[M+Na-2H]- 438.92889 183.8
[M]+ 417.95367 180.8
[M]- 417.95477 180.8
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.