CID 3103111

294197-58-3

Structural Information

Molecular Formula
C20H20N2O4
SMILES
CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OC
InChI
InChI=1S/C20H20N2O4/c1-13-17(19(23)25-2)18(22-20(24)21-13)15-8-10-16(11-9-15)26-12-14-6-4-3-5-7-14/h3-11,18H,12H2,1-2H3,(H2,21,22,24)
InChIKey
YVQWYHMZKXEFLL-UHFFFAOYSA-N
Compound name
methyl 6-methyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.1423 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.149576 184.2
[M+Na]+ 375.131518 189.9
[M-H]- 351.135024 188.2
[M+NH4]+ 370.176123 192.3
[M+K]+ 391.105458 184.2
[M+H-H2O]+ 335.139560 173.6
[M+HCOO]- 397.140501 199.2
[M+CH3COO]- 411.156151 209.0
[M+Na-2H]- 373.116966 184.7
[M]+ 352.14175142 182.1
[M]- 352.14284858 182.1
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.