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]+ 374.159806 188.5
[M+Na]+ 396.141748 194.9
[M-H]- 372.145254 195.9
[M+NH4]+ 391.186353 199.3
[M+K]+ 412.115688 194.9
[M+H-H2O]+ 356.149790 180.5
[M+HCOO]- 418.150731 204.8
[M+CH3COO]- 432.166381 217.5
[M+Na-2H]- 394.127196 188.4
[M]+ 373.15198142 195.4
[M]- 373.15307858 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.