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]+ 389.149576 191.8
[M+Na]+ 411.131518 201.7
[M-H]- 387.135024 202.5
[M+NH4]+ 406.176123 201.9
[M+K]+ 427.105458 195.6
[M+H-H2O]+ 371.139560 181.4
[M+HCOO]- 433.140501 209.9
[M+CH3COO]- 447.156151 202.1
[M+Na-2H]- 409.116966 191.9
[M]+ 388.14175142 192.0
[M]- 388.14284858 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

literature stripe

Patent stripe

patents stripe