CID 3124336

Ethyl 4-[4-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Structural Information

Molecular Formula
C21H22N2O4
SMILES
CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OCC3=CC=CC=C3)C
InChI
InChI=1S/C21H22N2O4/c1-3-26-20(24)18-14(2)22-21(25)23-19(18)16-9-11-17(12-10-16)27-13-15-7-5-4-6-8-15/h4-12,19H,3,13H2,1-2H3,(H2,22,23,25)
InChIKey
BDLDWINBPRHBMI-UHFFFAOYSA-N
Compound name
ethyl 6-methyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.15796 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.16524 188.5
[M+Na]+ 389.14718 193.8
[M-H]- 365.15068 192.4
[M+NH4]+ 384.19178 196.1
[M+K]+ 405.12112 187.9
[M+H-H2O]+ 349.15522 177.8
[M+HCOO]- 411.15616 203.2
[M+CH3COO]- 425.17181 212.0
[M+Na-2H]- 387.13263 188.5
[M]+ 366.15741 186.8
[M]- 366.15851 186.8
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.