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 164.3
[M+Na]+ 333.06124 177.2
[M-H]- 309.06474 169.8
[M+NH4]+ 328.10584 178.2
[M+K]+ 349.03518 172.7
[M+H-H2O]+ 293.06928 156.2
[M+HCOO]- 355.07022 182.4
[M+CH3COO]- 369.08587 205.1
[M+Na-2H]- 331.04669 167.7
[M]+ 310.07147 173.1
[M]- 310.07257 173.1
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.