CID 5467875

Nsc659634

Structural Information

Molecular Formula
C14H11N3O4S2
SMILES
C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=S)S2)C=C(C(=O)N)C(=O)N)O
InChI
InChI=1S/C14H11N3O4S2/c15-11(19)8(12(16)20)6-17-13(21)10(23-14(17)22)5-7-3-1-2-4-9(7)18/h1-6,18H,(H2,15,19)(H2,16,20)/b10-5-
InChIKey
LQUDYGWWRNEQEP-YHYXMXQVSA-N
Compound name
2-[[(5Z)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]methylidene]propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.0191 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.02638 178.5
[M+Na]+ 372.00832 184.3
[M-H]- 348.01182 181.0
[M+NH4]+ 367.05292 190.4
[M+K]+ 387.98226 177.1
[M+H-H2O]+ 332.01636 172.0
[M+HCOO]- 394.01730 186.3
[M+CH3COO]- 408.03295 210.1
[M+Na-2H]- 369.99377 172.0
[M]+ 349.01855 175.2
[M]- 349.01965 175.2
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.