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]+ 322.176126 172.0
[M+Na]+ 344.158068 178.2
[M-H]- 320.161574 172.3
[M+NH4]+ 339.202673 185.5
[M+K]+ 360.132008 175.1
[M+H-H2O]+ 304.166110 165.4
[M+HCOO]- 366.167051 188.4
[M+CH3COO]- 380.182701 212.7
[M+Na-2H]- 342.143516 171.1
[M]+ 321.16830142 172.8
[M]- 321.16939858 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.