CID 49247

Barbituric acid, 1-carbamoylmethyl-5,5-diallyl-

Structural Information

Molecular Formula
C12H15N3O4
SMILES
C=CCC1(C(=O)NC(=O)N(C1=O)CC(=O)N)CC=C
InChI
InChI=1S/C12H15N3O4/c1-3-5-12(6-4-2)9(17)14-11(19)15(10(12)18)7-8(13)16/h3-4H,1-2,5-7H2,(H2,13,16)(H,14,17,19)
InChIKey
ODDVXSNDJWGLRL-UHFFFAOYSA-N
Compound name
2-[2,4,6-trioxo-5,5-bis(prop-2-enyl)-1,3-diazinan-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.10626 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.113536 157.0
[M+Na]+ 288.095478 164.6
[M-H]- 264.098984 155.9
[M+NH4]+ 283.140083 171.7
[M+K]+ 304.069418 160.6
[M+H-H2O]+ 248.103520 151.0
[M+HCOO]- 310.104461 173.4
[M+CH3COO]- 324.120111 197.6
[M+Na-2H]- 286.080926 157.4
[M]+ 265.10571142 154.0
[M]- 265.10680858 154.0
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.