CID 6037383

Nsc659671

Structural Information

Molecular Formula
C16H10N4O2S2
SMILES
CC(=O)NC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)C=C(C#N)C#N
InChI
InChI=1S/C16H10N4O2S2/c1-10(21)19-13-4-2-11(3-5-13)6-14-15(22)20(16(23)24-14)9-12(7-17)8-18/h2-6,9H,1H3,(H,19,21)/b14-6-
InChIKey
RCCCDCPONOAMFR-NSIKDUERSA-N
Compound name
N-[4-[(Z)-[3-(2,2-dicyanoethenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.0245 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.03178 201.6
[M+Na]+ 377.01372 211.2
[M-H]- 353.01722 206.4
[M+NH4]+ 372.05832 210.7
[M+K]+ 392.98766 205.7
[M+H-H2O]+ 337.02176 185.7
[M+HCOO]- 399.02270 204.1
[M+CH3COO]- 413.03835 233.0
[M+Na-2H]- 374.99917 195.2
[M]+ 354.02395 193.5
[M]- 354.02505 193.5
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.