CID 214857

34486-70-9

Structural Information

Molecular Formula
C19H22N2O3
SMILES
CC(CC1=CC=CC=C1)N2C(=O)C(C(=O)NC2=O)(CC=C)CC=C
InChI
InChI=1S/C19H22N2O3/c1-4-11-19(12-5-2)16(22)20-18(24)21(17(19)23)14(3)13-15-9-7-6-8-10-15/h4-10,14H,1-2,11-13H2,3H3,(H,20,22,24)
InChIKey
OQJUZBZLWWZNTJ-UHFFFAOYSA-N
Compound name
1-(1-phenylpropan-2-yl)-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.16306 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17034 176.9
[M+Na]+ 349.15228 183.5
[M-H]- 325.15578 178.9
[M+NH4]+ 344.19688 189.5
[M+K]+ 365.12622 177.6
[M+H-H2O]+ 309.16032 168.7
[M+HCOO]- 371.16126 191.7
[M+CH3COO]- 385.17691 208.3
[M+Na-2H]- 347.13773 176.5
[M]+ 326.16251 174.8
[M]- 326.16361 174.8
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.