CID 461170

162152-08-1

Structural Information

Molecular Formula
C17H15NO6
SMILES
COC(=O)C1=CN2CC3=CC4=C(C=C3CC2=C1C(=O)OC)OCO4
InChI
InChI=1S/C17H15NO6/c1-21-16(19)11-7-18-6-10-5-14-13(23-8-24-14)4-9(10)3-12(18)15(11)17(20)22-2/h4-5,7H,3,6,8H2,1-2H3
InChIKey
YEXXURFGLRFNNE-UHFFFAOYSA-N
Compound name
dimethyl 5,10-dihydro-[1,3]benzodioxolo[5,6-f]indolizine-8,9-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.08994 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.09722 171.7
[M+Na]+ 352.07916 180.4
[M-H]- 328.08266 178.6
[M+NH4]+ 347.12376 188.3
[M+K]+ 368.05310 180.5
[M+H-H2O]+ 312.08720 166.6
[M+HCOO]- 374.08814 187.7
[M+CH3COO]- 388.10379 208.6
[M+Na-2H]- 350.06461 173.8
[M]+ 329.08939 178.5
[M]- 329.09049 178.5
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.