CID 6065475

Nsc659656

Structural Information

Molecular Formula
C14H10N4O5S2
SMILES
C1=CC(=CC=C1/C=C\2/C(=O)N(C(=S)S2)C=C(C(=O)N)C(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C14H10N4O5S2/c15-11(19)9(12(16)20)6-17-13(21)10(25-14(17)24)5-7-1-3-8(4-2-7)18(22)23/h1-6H,(H2,15,19)(H2,16,20)/b10-5-
InChIKey
OOTRZDSJWSMFHL-YHYXMXQVSA-N
Compound name
2-[[(5Z)-5-[(4-nitrophenyl)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

378.00925 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.01653 182.1
[M+Na]+ 400.99847 185.6
[M-H]- 377.00197 185.5
[M+NH4]+ 396.04307 191.9
[M+K]+ 416.97241 174.9
[M+H-H2O]+ 361.00651 179.0
[M+HCOO]- 423.00745 191.8
[M+CH3COO]- 437.02310 209.8
[M+Na-2H]- 398.98392 179.1
[M]+ 378.00870 176.3
[M]- 378.00980 176.3
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.