CID 363947

Nsc629481

Structural Information

Molecular Formula
C22H17NOS2
SMILES
COC1=C(C=C(C2=C1N=CC=C2)SC3=CC=CC=C3)SC4=CC=CC=C4
InChI
InChI=1S/C22H17NOS2/c1-24-22-20(26-17-11-6-3-7-12-17)15-19(18-13-8-14-23-21(18)22)25-16-9-4-2-5-10-16/h2-15H,1H3
InChIKey
QTLULWJUPJCQIM-UHFFFAOYSA-N
Compound name
8-methoxy-5,7-bis(phenylsulfanyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.07516 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.08244 183.3
[M+Na]+ 398.06438 192.7
[M-H]- 374.06788 192.0
[M+NH4]+ 393.10898 195.7
[M+K]+ 414.03832 184.2
[M+H-H2O]+ 358.07242 174.3
[M+HCOO]- 420.07336 195.1
[M+CH3COO]- 434.08901 193.4
[M+Na-2H]- 396.04983 186.8
[M]+ 375.07461 187.2
[M]- 375.07571 187.2
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.