CID 216564

37431-41-7

Structural Information

Molecular Formula
C19H24N2O7
SMILES
CCC(=O)OC1(C(=O)N(C(=O)N(C1=O)COC)COC)C(C)C2=CC=CC=C2
InChI
InChI=1S/C19H24N2O7/c1-5-15(22)28-19(13(2)14-9-7-6-8-10-14)16(23)20(11-26-3)18(25)21(12-27-4)17(19)24/h6-10,13H,5,11-12H2,1-4H3
InChIKey
DKSLPFNFRDNYJI-UHFFFAOYSA-N
Compound name
[1,3-bis(methoxymethyl)-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

392.15836 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.16564 186.0
[M+Na]+ 415.14758 192.5
[M-H]- 391.15108 189.7
[M+NH4]+ 410.19218 196.4
[M+K]+ 431.12152 191.6
[M+H-H2O]+ 375.15562 177.4
[M+HCOO]- 437.15656 201.8
[M+CH3COO]- 451.17221 221.8
[M+Na-2H]- 413.13303 185.3
[M]+ 392.15781 192.0
[M]- 392.15891 192.0
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

patents stripe