CID 148973

Niosh/mx8957000

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]+ 277.15468 165.8
[M+Na]+ 299.13662 177.5
[M+NH4]+ 294.18122 171.6
[M+K]+ 315.11056 172.0
[M-H]- 275.14012 167.1
[M+Na-2H]- 297.12207 170.1
[M]+ 276.14685 167.5
[M]- 276.14795 167.5
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.