CID 214697

33837-11-5

Structural Information

Molecular Formula
C17H20N2O5
SMILES
CCCC(=O)ON1C(=O)C(C(=O)NC1=O)(CCC)C2=CC=CC=C2
InChI
InChI=1S/C17H20N2O5/c1-3-8-13(20)24-19-15(22)17(11-4-2,14(21)18-16(19)23)12-9-6-5-7-10-12/h5-7,9-10H,3-4,8,11H2,1-2H3,(H,18,21,23)
InChIKey
PELAACFWZFHXDR-UHFFFAOYSA-N
Compound name
(2,4,6-trioxo-5-phenyl-5-propyl-1,3-diazinan-1-yl) butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1372 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.144476 175.3
[M+Na]+ 355.126418 182.2
[M-H]- 331.129924 177.7
[M+NH4]+ 350.171023 187.6
[M+K]+ 371.100358 178.7
[M+H-H2O]+ 315.134460 167.1
[M+HCOO]- 377.135401 191.0
[M+CH3COO]- 391.151051 206.9
[M+Na-2H]- 353.111866 176.2
[M]+ 332.13665142 176.1
[M]- 332.13774858 176.1
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.