CID 207446

Brn 0804870

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]+ 263.13902 159.9
[M+Na]+ 285.12096 168.5
[M-H]- 261.12446 164.1
[M+NH4]+ 280.16556 174.4
[M+K]+ 301.09490 165.4
[M+H-H2O]+ 245.12900 151.3
[M+HCOO]- 307.12994 178.2
[M+CH3COO]- 321.14559 198.9
[M+Na-2H]- 283.10641 161.5
[M]+ 262.13119 160.6
[M]- 262.13229 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.