CID 948784

2,4(1h,3h)-pyrimidinedione, dihydro-1-(2-(4-methoxy-3-methylphenyl)ethyl)-

Structural Information

Molecular Formula
C14H18N2O3
SMILES
CC1=C(C=CC(=C1)CCN2CCC(=O)NC2=O)OC
InChI
InChI=1S/C14H18N2O3/c1-10-9-11(3-4-12(10)19-2)5-7-16-8-6-13(17)15-14(16)18/h3-4,9H,5-8H2,1-2H3,(H,15,17,18)
InChIKey
CYIHUJIENKPEDT-UHFFFAOYSA-N
Compound name
1-[2-(4-methoxy-3-methylphenyl)ethyl]-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.13174 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13902 161.0
[M+Na]+ 285.12096 168.2
[M-H]- 261.12446 163.4
[M+NH4]+ 280.16556 174.4
[M+K]+ 301.09490 164.2
[M+H-H2O]+ 245.12900 152.4
[M+HCOO]- 307.12994 177.8
[M+CH3COO]- 321.14559 195.2
[M+Na-2H]- 283.10641 162.8
[M]+ 262.13119 159.4
[M]- 262.13229 159.4
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.