CID 6035688

Nsc659631

Structural Information

Molecular Formula
C15H11N3O4S2
SMILES
COC1=CC=CC(=C1O)/C=C\2/C(=O)N(C(=S)S2)/C=C(\C#N)/C(=O)N
InChI
InChI=1S/C15H11N3O4S2/c1-22-10-4-2-3-8(12(10)19)5-11-14(21)18(15(23)24-11)7-9(6-16)13(17)20/h2-5,7,19H,1H3,(H2,17,20)/b9-7+,11-5-
InChIKey
LHRUSAJUQRBIOC-WSIYXSMXSA-N
Compound name
(E)-2-cyano-3-[(5Z)-5-[(2-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.0191 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.02638 192.6
[M+Na]+ 384.00832 201.8
[M-H]- 360.01182 195.9
[M+NH4]+ 379.05292 203.8
[M+K]+ 399.98226 195.6
[M+H-H2O]+ 344.01636 179.8
[M+HCOO]- 406.01730 198.0
[M+CH3COO]- 420.03295 219.5
[M+Na-2H]- 381.99377 186.0
[M]+ 361.01855 187.8
[M]- 361.01965 187.8
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.