CID 2811088

Maybridge4_001223

Structural Information

Molecular Formula
C16H20N2O3
SMILES
CCOC(=O)C1=C(NC(=O)NC1C)C(C)C2=CC=CC=C2
InChI
InChI=1S/C16H20N2O3/c1-4-21-15(19)13-11(3)17-16(20)18-14(13)10(2)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H2,17,18,20)
InChIKey
IHGQHXFNBUCFCE-UHFFFAOYSA-N
Compound name
ethyl 4-methyl-2-oxo-6-(1-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

288.1474 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.154676 168.8
[M+Na]+ 311.136618 174.3
[M-H]- 287.140124 169.7
[M+NH4]+ 306.181223 180.1
[M+K]+ 327.110558 169.8
[M+H-H2O]+ 271.144660 160.3
[M+HCOO]- 333.145601 182.9
[M+CH3COO]- 347.161251 198.3
[M+Na-2H]- 309.122066 168.5
[M]+ 288.14685142 165.8
[M]- 288.14794858 165.8
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.