CID 207446

30060-51-6

Structural Information

Molecular Formula
C14H18N2O3
SMILES
CC1=C(C=C(C=C1)CON2CCC(=O)N(C2=O)C)C
InChI
InChI=1S/C14H18N2O3/c1-10-4-5-12(8-11(10)2)9-19-16-7-6-13(17)15(3)14(16)18/h4-5,8H,6-7,9H2,1-3H3
InChIKey
GBOUHIQWJBMOHJ-UHFFFAOYSA-N
Compound name
1-[(3,4-dimethylphenyl)methoxy]-3-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

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.139016 159.9
[M+Na]+ 285.120958 168.5
[M-H]- 261.124464 164.1
[M+NH4]+ 280.165563 174.4
[M+K]+ 301.094898 165.4
[M+H-H2O]+ 245.129000 151.3
[M+HCOO]- 307.129941 178.2
[M+CH3COO]- 321.145591 198.9
[M+Na-2H]- 283.106406 161.5
[M]+ 262.13119142 160.6
[M]- 262.13228858 160.6
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.