CID 3078523

Brn 3569837

Structural Information

Molecular Formula
C15H17N3O6
SMILES
CCOC1=CC(=O)N(C(=O)N1CC2=CC(=C(C=C2)OC)[N+](=O)[O-])C
InChI
InChI=1S/C15H17N3O6/c1-4-24-14-8-13(19)16(2)15(20)17(14)9-10-5-6-12(23-3)11(7-10)18(21)22/h5-8H,4,9H2,1-3H3
InChIKey
QCXBIRFCKLVFPD-UHFFFAOYSA-N
Compound name
6-ethoxy-1-[(4-methoxy-3-nitrophenyl)methyl]-3-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.11172 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.118996 173.4
[M+Na]+ 358.100938 182.9
[M-H]- 334.104444 178.8
[M+NH4]+ 353.145543 184.0
[M+K]+ 374.074878 176.0
[M+H-H2O]+ 318.108980 168.3
[M+HCOO]- 380.109921 196.6
[M+CH3COO]- 394.125571 205.7
[M+Na-2H]- 356.086386 178.8
[M]+ 335.11117142 178.7
[M]- 335.11226858 178.7
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.