CID 135418575

Brn 1017055

Structural Information

Molecular Formula
C17H12N2O2S2
SMILES
C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)/N=C/C3=CC=CC=C3O
InChI
InChI=1S/C17H12N2O2S2/c20-14-9-5-4-8-13(14)11-18-19-16(21)15(23-17(19)22)10-12-6-2-1-3-7-12/h1-11,20H/b15-10+,18-11+
InChIKey
YWCSHUSCRWANQW-MIKCAUBTSA-N
Compound name
(5E)-5-benzylidene-3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.03403 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.04131 177.6
[M+Na]+ 363.02325 186.9
[M-H]- 339.02675 186.2
[M+NH4]+ 358.06785 192.3
[M+K]+ 378.99719 178.6
[M+H-H2O]+ 323.03129 170.3
[M+HCOO]- 385.03223 190.9
[M+CH3COO]- 399.04788 188.3
[M+Na-2H]- 361.00870 175.6
[M]+ 340.03348 178.0
[M]- 340.03458 178.0
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.