CID 3078522

Brn 3561427

Structural Information

Molecular Formula
C14H15ClN2O4
SMILES
CN1C(=O)C=C(N(C1=O)CC2=CC(=C(C=C2)OC)Cl)OC
InChI
InChI=1S/C14H15ClN2O4/c1-16-12(18)7-13(21-3)17(14(16)19)8-9-4-5-11(20-2)10(15)6-9/h4-7H,8H2,1-3H3
InChIKey
WIDNHAMMWMRIIL-UHFFFAOYSA-N
Compound name
1-[(3-chloro-4-methoxyphenyl)methyl]-6-methoxy-3-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.07202 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.07930 166.5
[M+Na]+ 333.06124 183.1
[M+NH4]+ 328.10584 172.8
[M+K]+ 349.03518 176.1
[M-H]- 309.06474 168.8
[M+Na-2H]- 331.04669 173.8
[M]+ 310.07147 169.8
[M]- 310.07257 169.8
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.