CID 6477414

Nsc659505

Structural Information

Molecular Formula
C24H23N3O6S
SMILES
CC(=O)/C(=C\N1C(=O)/C(=C/C2=CC(=C(C=C2)OC)OC)/NC1=S)/C(=O)NC3=CC=C(C=C3)OC
InChI
InChI=1S/C24H23N3O6S/c1-14(28)18(22(29)25-16-6-8-17(31-2)9-7-16)13-27-23(30)19(26-24(27)34)11-15-5-10-20(32-3)21(12-15)33-4/h5-13H,1-4H3,(H,25,29)(H,26,34)/b18-13+,19-11-
InChIKey
DCCBULCOUKXNKQ-UXXKKSSQSA-N
Compound name
(2E)-2-[[(4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-5-oxo-2-sulfanylideneimidazolidin-1-yl]methylidene]-N-(4-methoxyphenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.13077 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.13805 213.8
[M+Na]+ 504.11999 218.6
[M-H]- 480.12349 219.7
[M+NH4]+ 499.16459 219.5
[M+K]+ 520.09393 213.0
[M+H-H2O]+ 464.12803 204.8
[M+HCOO]- 526.12897 225.0
[M+CH3COO]- 540.14462 236.4
[M+Na-2H]- 502.10544 206.6
[M]+ 481.13022 217.2
[M]- 481.13132 217.2
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.