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]+ 327.170336 176.9
[M+Na]+ 349.152278 183.5
[M-H]- 325.155784 178.9
[M+NH4]+ 344.196883 189.5
[M+K]+ 365.126218 177.6
[M+H-H2O]+ 309.160320 168.7
[M+HCOO]- 371.161261 191.7
[M+CH3COO]- 385.176911 208.3
[M+Na-2H]- 347.137726 176.5
[M]+ 326.16251142 174.8
[M]- 326.16360858 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.