CID 148973

62554-13-6

Structural Information

Molecular Formula
C15H20N2O3
SMILES
CC1CN(C(=O)NC1=O)CC2=CC=C(C=C2)OC(C)C
InChI
InChI=1S/C15H20N2O3/c1-10(2)20-13-6-4-12(5-7-13)9-17-8-11(3)14(18)16-15(17)19/h4-7,10-11H,8-9H2,1-3H3,(H,16,18,19)
InChIKey
FOGOKWJMPFCSTE-UHFFFAOYSA-N
Compound name
5-methyl-1-[(4-propan-2-yloxyphenyl)methyl]-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.1474 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.154676 165.1
[M+Na]+ 299.136618 171.6
[M-H]- 275.140124 167.4
[M+NH4]+ 294.181223 177.9
[M+K]+ 315.110558 167.9
[M+H-H2O]+ 259.144660 156.5
[M+HCOO]- 321.145601 180.6
[M+CH3COO]- 335.161251 199.1
[M+Na-2H]- 297.122066 165.2
[M]+ 276.14685142 163.3
[M]- 276.14794858 163.3
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.