CID 5467817

Nsc659416

Structural Information

Molecular Formula
C20H12N2O4S
SMILES
C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)N2)/C=C\3/C(=O)C4=CC=CC=C4OC3=O
InChI
InChI=1S/C20H12N2O4S/c23-17-13-8-4-5-9-16(13)26-19(25)14(17)11-22-18(24)15(21-20(22)27)10-12-6-2-1-3-7-12/h1-11H,(H,21,27)/b14-11-,15-10-
InChIKey
LAUYHDXDBVCSSV-BOSGCFSHSA-N
Compound name
(3Z)-3-[[(4Z)-4-benzylidene-5-oxo-2-sulfanylideneimidazolidin-1-yl]methylidene]chromene-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.0518 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.05908 188.6
[M+Na]+ 399.04102 198.0
[M-H]- 375.04452 196.2
[M+NH4]+ 394.08562 199.1
[M+K]+ 415.01496 190.6
[M+H-H2O]+ 359.04906 180.6
[M+HCOO]- 421.05000 199.2
[M+CH3COO]- 435.06565 197.9
[M+Na-2H]- 397.02647 185.8
[M]+ 376.05125 187.1
[M]- 376.05235 187.1
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.