CID 332932

Ethyl 6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Structural Information

Molecular Formula
C17H22N2O6
SMILES
CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C(=C2)OC)OC)OC)C
InChI
InChI=1S/C17H22N2O6/c1-6-25-16(20)13-9(2)18-17(21)19-14(13)10-7-11(22-3)15(24-5)12(8-10)23-4/h7-8,14H,6H2,1-5H3,(H2,18,19,21)
InChIKey
DRYINFWYQWTQOV-UHFFFAOYSA-N
Compound name
ethyl 6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.1478 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.15508 180.8
[M+Na]+ 373.13702 188.2
[M-H]- 349.14052 182.6
[M+NH4]+ 368.18162 190.2
[M+K]+ 389.11096 185.3
[M+H-H2O]+ 333.14506 172.0
[M+HCOO]- 395.14600 196.0
[M+CH3COO]- 409.16165 211.1
[M+Na-2H]- 371.12247 179.4
[M]+ 350.14725 184.4
[M]- 350.14835 184.4
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.