CID 833498

(5e)-2-mercapto-5-(4-methoxybenzylidene)-3-phenyl-3,5-dihydro-4h-imidazol-4-one

Structural Information

Molecular Formula
C17H14N2O2S
SMILES
COC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)N2)C3=CC=CC=C3
InChI
InChI=1S/C17H14N2O2S/c1-21-14-9-7-12(8-10-14)11-15-16(20)19(17(22)18-15)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,22)/b15-11+
InChIKey
NSVSDYCWRPBVAF-RVDMUPIBSA-N
Compound name
(5E)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.0776 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.08488 172.2
[M+Na]+ 333.06682 181.4
[M-H]- 309.07032 178.6
[M+NH4]+ 328.11142 186.0
[M+K]+ 349.04076 174.1
[M+H-H2O]+ 293.07486 164.0
[M+HCOO]- 355.07580 186.9
[M+CH3COO]- 369.09145 182.9
[M+Na-2H]- 331.05227 170.2
[M]+ 310.07705 171.6
[M]- 310.07815 171.6
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.