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]+ 263.13902 155.0
[M+Na]+ 285.12096 164.4
[M-H]- 261.12446 155.9
[M+NH4]+ 280.16556 171.7
[M+K]+ 301.09490 160.1
[M+H-H2O]+ 245.12900 149.2
[M+HCOO]- 307.12994 172.8
[M+CH3COO]- 321.14559 199.6
[M+Na-2H]- 283.10641 156.2
[M]+ 262.13119 156.0
[M]- 262.13229 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.