CID 3107231

Bas 00436610

Structural Information

Molecular Formula
C16H18N2O5
SMILES
CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC(=O)C)C
InChI
InChI=1S/C16H18N2O5/c1-4-22-15(20)13-9(2)17-16(21)18-14(13)11-5-7-12(8-6-11)23-10(3)19/h5-8,14H,4H2,1-3H3,(H2,17,18,21)
InChIKey
PKCCGIMOTGRKBT-UHFFFAOYSA-N
Compound name
ethyl 4-(4-acetyloxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.12158 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.12886 172.8
[M+Na]+ 341.11080 179.2
[M-H]- 317.11430 174.1
[M+NH4]+ 336.15540 183.0
[M+K]+ 357.08474 175.6
[M+H-H2O]+ 301.11884 164.2
[M+HCOO]- 363.11978 187.5
[M+CH3COO]- 377.13543 202.8
[M+Na-2H]- 339.09625 172.1
[M]+ 318.12103 172.3
[M]- 318.12213 172.3
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.