CID 24208977

853329-58-5

Structural Information

Molecular Formula

C₂₂H₂₂FNO₃

SMILES

CCOC(=O)C1=C2C=C(C=CN2C(=C1)C(=O)C3=CC=C(C=C3)F)C(C)(C)C

InChI

InChI=1S/C22H22FNO3/c1-5-27-21(26)17-13-19(20(25)14-6-8-16(23)9-7-14)24-11-10-15(12-18(17)24)22(2,3)4/h6-13H,5H2,1-4H3

InChIKey

OKXRJJZULUPJPW-UHFFFAOYSA-N

Compound name

ethyl 7-tert-butyl-3-(4-fluorobenzoyl)indolizine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 367.1584 Da
Monoisotopic Mass: 6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	368.165676	188.4
[M+Na]+	390.147618	197.6
[M-H]-	366.151124	194.4
[M+NH4]+	385.192223	202.7
[M+K]+	406.121558	192.9
[M+H-H2O]+	350.155660	179.7
[M+HCOO]-	412.156601	207.0
[M+CH3COO]-	426.172251	218.3
[M+Na-2H]-	388.133066	188.8
[M]+	367.15785142	193.3
[M]-	367.15894858	193.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.