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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.16568 188.4
[M+Na]+ 390.14762 197.6
[M-H]- 366.15112 194.4
[M+NH4]+ 385.19222 202.7
[M+K]+ 406.12156 192.9
[M+H-H2O]+ 350.15566 179.7
[M+HCOO]- 412.15660 207.0
[M+CH3COO]- 426.17225 218.3
[M+Na-2H]- 388.13307 188.8
[M]+ 367.15785 193.3
[M]- 367.15895 193.3
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.