CID 48422

Brn 0310275

Structural Information

Molecular Formula
C16H23N3O4
SMILES
CCN(CC)C(=O)CN1C(=O)C(C(=O)NC1=O)(CC=C)CC=C
InChI
InChI=1S/C16H23N3O4/c1-5-9-16(10-6-2)13(21)17-15(23)19(14(16)22)11-12(20)18(7-3)8-4/h5-6H,1-2,7-11H2,3-4H3,(H,17,21,23)
InChIKey
CUAFNQYQUIWZFW-UHFFFAOYSA-N
Compound name
N,N-diethyl-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

321.16885 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.17613 172.0
[M+Na]+ 344.15807 178.2
[M-H]- 320.16157 172.3
[M+NH4]+ 339.20267 185.5
[M+K]+ 360.13201 175.1
[M+H-H2O]+ 304.16611 165.4
[M+HCOO]- 366.16705 188.4
[M+CH3COO]- 380.18270 212.7
[M+Na-2H]- 342.14352 171.1
[M]+ 321.16830 172.8
[M]- 321.16940 172.8
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.