CID 381500

Nsc668256

Structural Information

Molecular Formula
C22H18N2O4
SMILES
C=C1CC(OC1=O)(CN2C=CC(=O)NC2=O)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H18N2O4/c1-15-13-22(28-20(15)26,14-24-12-11-19(25)23-21(24)27)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-12H,1,13-14H2,(H,23,25,27)
InChIKey
CHNLXVZWZIJDSA-UHFFFAOYSA-N
Compound name
1-[[4-methylidene-5-oxo-2-(4-phenylphenyl)oxolan-2-yl]methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.12665 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.13393 187.6
[M+Na]+ 397.11587 197.0
[M-H]- 373.11937 198.0
[M+NH4]+ 392.16047 197.9
[M+K]+ 413.08981 191.0
[M+H-H2O]+ 357.12391 177.1
[M+HCOO]- 419.12485 206.0
[M+CH3COO]- 433.14050 197.9
[M+Na-2H]- 395.10132 188.8
[M]+ 374.12610 186.9
[M]- 374.12720 186.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.