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 178.4
[M+Na]+ 440.94344 195.0
[M-H]- 416.94694 187.1
[M+NH4]+ 435.98804 195.9
[M+K]+ 456.91738 179.9
[M+H-H2O]+ 400.95148 178.9
[M+HCOO]- 462.95242 188.4
[M+CH3COO]- 476.96807 192.1
[M+Na-2H]- 438.92889 183.3
[M]+ 417.95367 204.2
[M]- 417.95477 204.2
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.