CID 1567490

130955-61-2

Structural Information

Molecular Formula
C17H12N2O3S2
SMILES
CC1=CC(=CC=C1)N2C(=O)/C(=C/C3=CC=CC=C3[N+](=O)[O-])/SC2=S
InChI
InChI=1S/C17H12N2O3S2/c1-11-5-4-7-13(9-11)18-16(20)15(24-17(18)23)10-12-6-2-3-8-14(12)19(21)22/h2-10H,1H3/b15-10-
InChIKey
LIEBZWMQVJUSPW-GDNBJRDFSA-N
Compound name
(5Z)-3-(3-methylphenyl)-5-[(2-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.02893 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.03621 181.4
[M+Na]+ 379.01815 189.2
[M-H]- 355.02165 190.0
[M+NH4]+ 374.06275 194.4
[M+K]+ 394.99209 177.4
[M+H-H2O]+ 339.02619 178.2
[M+HCOO]- 401.02713 193.8
[M+CH3COO]- 415.04278 204.1
[M+Na-2H]- 377.00360 180.1
[M]+ 356.02838 179.5
[M]- 356.02948 179.5
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.