CID 388637

Nsc683649

Structural Information

Molecular Formula
C12H13N3O3
SMILES
COC1=CC=C(C=C1)CC2=C(NC(=O)NC2=O)N
InChI
InChI=1S/C12H13N3O3/c1-18-8-4-2-7(3-5-8)6-9-10(13)14-12(17)15-11(9)16/h2-5H,6H2,1H3,(H4,13,14,15,16,17)
InChIKey
JKIJOLSHTVQRPO-UHFFFAOYSA-N
Compound name
6-amino-5-[(4-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.09569 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.10297 154.1
[M+Na]+ 270.08491 163.9
[M-H]- 246.08841 156.1
[M+NH4]+ 265.12951 167.1
[M+K]+ 286.05885 158.4
[M+H-H2O]+ 230.09295 145.8
[M+HCOO]- 292.09389 174.8
[M+CH3COO]- 306.10954 190.6
[M+Na-2H]- 268.07036 158.7
[M]+ 247.09514 152.5
[M]- 247.09624 152.5
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.