CID 3043910

56353-73-2

Structural Information

Molecular Formula
C19H24N2O5
SMILES
CCC(=O)OC1(C(=O)N(C(=O)N(C1=O)CC)CC)C(C)C2=CC=CC=C2
InChI
InChI=1S/C19H24N2O5/c1-5-15(22)26-19(13(4)14-11-9-8-10-12-14)16(23)20(6-2)18(25)21(7-3)17(19)24/h8-13H,5-7H2,1-4H3
InChIKey
WWHCMQKHQWYPSZ-UHFFFAOYSA-N
Compound name
[1,3-diethyl-2,4,6-trioxo-5-(1-phenylethyl)-1,3-diazinan-5-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.16852 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.17580 181.3
[M+Na]+ 383.15774 188.4
[M-H]- 359.16124 185.2
[M+NH4]+ 378.20234 193.4
[M+K]+ 399.13168 186.0
[M+H-H2O]+ 343.16578 173.1
[M+HCOO]- 405.16672 196.8
[M+CH3COO]- 419.18237 217.4
[M+Na-2H]- 381.14319 180.1
[M]+ 360.16797 184.5
[M]- 360.16907 184.5
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.