CID 49247

Brn 0264683

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]+ 266.11354 157.0
[M+Na]+ 288.09548 164.6
[M-H]- 264.09898 155.9
[M+NH4]+ 283.14008 171.7
[M+K]+ 304.06942 160.6
[M+H-H2O]+ 248.10352 151.0
[M+HCOO]- 310.10446 173.4
[M+CH3COO]- 324.12011 197.6
[M+Na-2H]- 286.08093 157.4
[M]+ 265.10571 154.0
[M]- 265.10681 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.