CID 3078524

Brn 3567662

Structural Information

Molecular Formula
C14H15N3O6
SMILES
CN1C(=O)C=C(N(C1=O)CC2=CC(=C(C=C2)OC)[N+](=O)[O-])OC
InChI
InChI=1S/C14H15N3O6/c1-15-12(18)7-13(23-3)16(14(15)19)8-9-4-5-11(22-2)10(6-9)17(20)21/h4-7H,8H2,1-3H3
InChIKey
WCTZARGFKBRFCV-UHFFFAOYSA-N
Compound name
6-methoxy-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

321.0961 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.10338 168.6
[M+Na]+ 344.08532 178.6
[M-H]- 320.08882 174.3
[M+NH4]+ 339.12992 179.8
[M+K]+ 360.05926 172.0
[M+H-H2O]+ 304.09336 163.8
[M+HCOO]- 366.09430 192.2
[M+CH3COO]- 380.10995 202.8
[M+Na-2H]- 342.07077 174.6
[M]+ 321.09555 173.6
[M]- 321.09665 173.6
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.