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]+ 306.10845 167.0
[M+Na]+ 328.09039 173.9
[M-H]- 304.09389 170.3
[M+NH4]+ 323.13499 177.8
[M+K]+ 344.06433 166.7
[M+H-H2O]+ 288.09843 163.0
[M+HCOO]- 350.09937 185.3
[M+CH3COO]- 364.11502 197.4
[M+Na-2H]- 326.07584 170.2
[M]+ 305.10062 165.1
[M]- 305.10172 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.