CID 276707

Nsc-125034

Structural Information

Molecular Formula
C18H12N2O2S2
SMILES
C1=CC2=C(C(=C1)O)N=C(C=C2)SSC3=NC4=C(C=CC=C4O)C=C3
InChI
InChI=1S/C18H12N2O2S2/c21-13-5-1-3-11-7-9-15(19-17(11)13)23-24-16-10-8-12-4-2-6-14(22)18(12)20-16/h1-10,21-22H
InChIKey
XHJJWLOYIZUQTP-UHFFFAOYSA-N
Compound name
2-[(8-hydroxyquinolin-2-yl)disulfanyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

22
Patents

352.03403 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.04131 172.0
[M+Na]+ 375.02325 183.6
[M-H]- 351.02675 175.6
[M+NH4]+ 370.06785 184.2
[M+K]+ 390.99719 174.7
[M+H-H2O]+ 335.03129 164.7
[M+HCOO]- 397.03223 180.8
[M+CH3COO]- 411.04788 182.1
[M+Na-2H]- 373.00870 178.5
[M]+ 352.03348 176.5
[M]- 352.03458 176.5
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

patents stripe