CID 6477395

Nsc658289

Structural Information

Molecular Formula
C23H16N2O4S
SMILES
C/C(=C\C1=CC=CC=C1)/C=C/2\C(=O)N(C(=S)N2)/C=C\3/C(=O)C4=CC=CC=C4OC3=O
InChI
InChI=1S/C23H16N2O4S/c1-14(11-15-7-3-2-4-8-15)12-18-21(27)25(23(30)24-18)13-17-20(26)16-9-5-6-10-19(16)29-22(17)28/h2-13H,1H3,(H,24,30)/b14-11+,17-13-,18-12+
InChIKey
ODHKGBNZWOWHQJ-AQPIDUEMSA-N
Compound name
(3Z)-3-[[(4E)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-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

416.08307 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.09035 200.5
[M+Na]+ 439.07229 208.4
[M-H]- 415.07579 207.6
[M+NH4]+ 434.11689 209.2
[M+K]+ 455.04623 200.5
[M+H-H2O]+ 399.08033 192.3
[M+HCOO]- 461.08127 209.2
[M+CH3COO]- 475.09692 208.5
[M+Na-2H]- 437.05774 195.4
[M]+ 416.08252 198.6
[M]- 416.08362 198.6
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.