CID 148738

55384-00-4

Structural Information

Molecular Formula
C14H18N2O3
SMILES
CCCOC1=CC=C(C=C1)CN2CCC(=O)NC2=O
InChI
InChI=1S/C14H18N2O3/c1-2-9-19-12-5-3-11(4-6-12)10-16-8-7-13(17)15-14(16)18/h3-6H,2,7-10H2,1H3,(H,15,17,18)
InChIKey
CVKJYFIFQUTZAJ-UHFFFAOYSA-N
Compound name
1-[(4-propoxyphenyl)methyl]-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

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13902 161.0
[M+Na]+ 285.12096 167.2
[M-H]- 261.12446 163.0
[M+NH4]+ 280.16556 174.1
[M+K]+ 301.09490 163.2
[M+H-H2O]+ 245.12900 152.1
[M+HCOO]- 307.12994 177.8
[M+CH3COO]- 321.14559 193.9
[M+Na-2H]- 283.10641 163.5
[M]+ 262.13119 159.0
[M]- 262.13229 159.0
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.