CID 2722596

(5e)-5-(4-fluorobenzylidene)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-phenyl-3,5-dihydro-4h-imidazol-4-one

Structural Information

Molecular Formula
C25H19FN2O3S
SMILES
COC1=CC=C(C=C1)C(=O)CSC2=N/C(=C/C3=CC=C(C=C3)F)/C(=O)N2C4=CC=CC=C4
InChI
InChI=1S/C25H19FN2O3S/c1-31-21-13-9-18(10-14-21)23(29)16-32-25-27-22(15-17-7-11-19(26)12-8-17)24(30)28(25)20-5-3-2-4-6-20/h2-15H,16H2,1H3/b22-15+
InChIKey
LKLWOAVYWWUNIR-PXLXIMEGSA-N
Compound name
(5E)-5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-3-phenylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.11005 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.11733 207.7
[M+Na]+ 469.09927 216.2
[M-H]- 445.10277 217.1
[M+NH4]+ 464.14387 216.0
[M+K]+ 485.07321 208.2
[M+H-H2O]+ 429.10731 196.2
[M+HCOO]- 491.10825 221.9
[M+CH3COO]- 505.12390 216.3
[M+Na-2H]- 467.08472 203.3
[M]+ 446.10950 210.3
[M]- 446.11060 210.3
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.