CID 2830421

Methyl 1,6-dimethyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Structural Information

Molecular Formula
C14H15N3O5
SMILES
CC1=C(C(NC(=O)N1C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C14H15N3O5/c1-8-11(13(18)22-3)12(15-14(19)16(8)2)9-5-4-6-10(7-9)17(20)21/h4-7,12H,1-3H3,(H,15,19)
InChIKey
PAGLXUNRBQKWFL-UHFFFAOYSA-N
Compound name
methyl 3,4-dimethyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.10117 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.108446 167.0
[M+Na]+ 328.090388 173.9
[M-H]- 304.093894 170.3
[M+NH4]+ 323.134993 177.8
[M+K]+ 344.064328 166.7
[M+H-H2O]+ 288.098430 163.0
[M+HCOO]- 350.099371 185.3
[M+CH3COO]- 364.115021 197.4
[M+Na-2H]- 326.075836 170.2
[M]+ 305.10062142 165.1
[M]- 305.10171858 165.1
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.