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]+ 353.14958 184.2
[M+Na]+ 375.13152 189.9
[M-H]- 351.13502 188.2
[M+NH4]+ 370.17612 192.3
[M+K]+ 391.10546 184.2
[M+H-H2O]+ 335.13956 173.6
[M+HCOO]- 397.14050 199.2
[M+CH3COO]- 411.15615 209.0
[M+Na-2H]- 373.11697 184.7
[M]+ 352.14175 182.1
[M]- 352.14285 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.