CID 3065038

N-allyl-n'-methylallobarbital

Structural Information

Molecular Formula
C14H18N2O3
SMILES
CN1C(=O)C(C(=O)N(C1=O)CC=C)(CC=C)CC=C
InChI
InChI=1S/C14H18N2O3/c1-5-8-14(9-6-2)11(17)15(4)13(19)16(10-7-3)12(14)18/h5-7H,1-3,8-10H2,4H3
InChIKey
NLAXKCOUBCNHHZ-UHFFFAOYSA-N
Compound name
1-methyl-3,5,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.13174 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.139016 155.0
[M+Na]+ 285.120958 164.4
[M-H]- 261.124464 155.9
[M+NH4]+ 280.165563 171.7
[M+K]+ 301.094898 160.1
[M+H-H2O]+ 245.129000 149.2
[M+HCOO]- 307.129941 172.8
[M+CH3COO]- 321.145591 199.6
[M+Na-2H]- 283.106406 156.2
[M]+ 262.13119142 156.0
[M]- 262.13228858 156.0
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.