CID 948784

88655-23-6

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]+ 263.139016 161.0
[M+Na]+ 285.120958 168.2
[M-H]- 261.124464 163.4
[M+NH4]+ 280.165563 174.4
[M+K]+ 301.094898 164.2
[M+H-H2O]+ 245.129000 152.4
[M+HCOO]- 307.129941 177.8
[M+CH3COO]- 321.145591 195.2
[M+Na-2H]- 283.106406 162.8
[M]+ 262.13119142 159.4
[M]- 262.13228858 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.