CID 2378241

725710-48-5

Structural Information

Molecular Formula
C20H20N2O2S
SMILES
CC(C)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)N2)C3=CC(=CC=C3)OC
InChI
InChI=1S/C20H20N2O2S/c1-13(2)15-9-7-14(8-10-15)11-18-19(23)22(20(25)21-18)16-5-4-6-17(12-16)24-3/h4-13H,1-3H3,(H,21,25)/b18-11-
InChIKey
YPPAQBTVRSDRAI-WQRHYEAKSA-N
Compound name
(5Z)-3-(3-methoxyphenyl)-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.12454 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13182 184.6
[M+Na]+ 375.11376 192.9
[M-H]- 351.11726 191.0
[M+NH4]+ 370.15836 196.9
[M+K]+ 391.08770 185.5
[M+H-H2O]+ 335.12180 176.4
[M+HCOO]- 397.12274 197.3
[M+CH3COO]- 411.13839 210.7
[M+Na-2H]- 373.09921 179.6
[M]+ 352.12399 184.9
[M]- 352.12509 184.9
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.