CID 24209046

853334-55-1

Structural Information

Molecular Formula
C21H21NO5
SMILES
CCOC(=O)C1=C2C=C(C=CN2C(=C1)C(=O)C3=CC(=C(C=C3)OC)OC)C
InChI
InChI=1S/C21H21NO5/c1-5-27-21(24)15-12-17(22-9-8-13(2)10-16(15)22)20(23)14-6-7-18(25-3)19(11-14)26-4/h6-12H,5H2,1-4H3
InChIKey
GFPZSIPBVPZKGV-UHFFFAOYSA-N
Compound name
ethyl 3-(3,4-dimethoxybenzoyl)-7-methylindolizine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.14197 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.149246 185.9
[M+Na]+ 390.131188 195.3
[M-H]- 366.134694 193.3
[M+NH4]+ 385.175793 200.0
[M+K]+ 406.105128 192.3
[M+H-H2O]+ 350.139230 177.4
[M+HCOO]- 412.140171 207.7
[M+CH3COO]- 426.155821 218.5
[M+Na-2H]- 388.116636 185.9
[M]+ 367.14142142 195.1
[M]- 367.14251858 195.1
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.