CID 118815969

557796-02-8

Structural Information

Molecular Formula
C20H23NO6
SMILES
CCOC(=O)C1=C2C(=C(N1CC3=CC=CC=C3)C(=O)OCC)OC(CO2)C
InChI
InChI=1S/C20H23NO6/c1-4-24-19(22)15-17-18(27-13(3)12-26-17)16(20(23)25-5-2)21(15)11-14-9-7-6-8-10-14/h6-10,13H,4-5,11-12H2,1-3H3
InChIKey
OSCAYHZVZFKKFX-UHFFFAOYSA-N
Compound name
diethyl 6-benzyl-3-methyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyrrole-5,7-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.15253 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.15981 188.5
[M+Na]+ 396.14175 194.9
[M-H]- 372.14525 195.9
[M+NH4]+ 391.18635 199.3
[M+K]+ 412.11569 194.9
[M+H-H2O]+ 356.14979 180.5
[M+HCOO]- 418.15073 204.8
[M+CH3COO]- 432.16638 217.5
[M+Na-2H]- 394.12720 188.4
[M]+ 373.15198 195.4
[M]- 373.15308 195.4
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.