CID 381502

Nsc668258

Structural Information

Molecular Formula
C23H20N2O4
SMILES
CC1=CN(C(=O)NC1=O)CC2(CC(=C)C(=O)O2)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H20N2O4/c1-15-12-23(29-21(15)27,14-25-13-16(2)20(26)24-22(25)28)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,13H,1,12,14H2,2H3,(H,24,26,28)
InChIKey
VJKKFWROBSMCSZ-UHFFFAOYSA-N
Compound name
5-methyl-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

1
Patents

388.1423 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.14958 191.8
[M+Na]+ 411.13152 201.7
[M-H]- 387.13502 202.5
[M+NH4]+ 406.17612 201.9
[M+K]+ 427.10546 195.6
[M+H-H2O]+ 371.13956 181.4
[M+HCOO]- 433.14050 209.9
[M+CH3COO]- 447.15615 202.1
[M+Na-2H]- 409.11697 191.9
[M]+ 388.14175 192.0
[M]- 388.14285 192.0
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.