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]+ 368.14925 185.9
[M+Na]+ 390.13119 195.3
[M-H]- 366.13469 193.3
[M+NH4]+ 385.17579 200.0
[M+K]+ 406.10513 192.3
[M+H-H2O]+ 350.13923 177.4
[M+HCOO]- 412.14017 207.7
[M+CH3COO]- 426.15582 218.5
[M+Na-2H]- 388.11664 185.9
[M]+ 367.14142 195.1
[M]- 367.14252 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.