CID 53066

74619-91-3

Structural Information

Molecular Formula
C26H36N2O8
SMILES
CCC1(C=C(C(=O)N(C1=O)CCN2CCOCC2)COC(=O)C3=CC(=C(C(=C3)OC)OC)OC)CC
InChI
InChI=1S/C26H36N2O8/c1-6-26(7-2)16-19(23(29)28(25(26)31)9-8-27-10-12-35-13-11-27)17-36-24(30)18-14-20(32-3)22(34-5)21(15-18)33-4/h14-16H,6-13,17H2,1-5H3
InChIKey
ODUVBISIKSTEKN-UHFFFAOYSA-N
Compound name
[5,5-diethyl-1-(2-morpholin-4-ylethyl)-2,6-dioxopyridin-3-yl]methyl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.24716 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.25444 219.6
[M+Na]+ 527.23638 223.7
[M-H]- 503.23988 226.1
[M+NH4]+ 522.28098 223.8
[M+K]+ 543.21032 223.4
[M+H-H2O]+ 487.24442 208.3
[M+HCOO]- 549.24536 231.2
[M+CH3COO]- 563.26101 244.3
[M+Na-2H]- 525.22183 216.2
[M]+ 504.24661 226.5
[M]- 504.24771 226.5
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.