CID 24208976

853329-54-1

Structural Information

Molecular Formula
C22H23NO3
SMILES
CCOC(=O)C1=C2C=C(C=CN2C(=C1)C(=O)C3=CC=CC=C3)C(C)(C)C
InChI
InChI=1S/C22H23NO3/c1-5-26-21(25)17-14-19(20(24)15-9-7-6-8-10-15)23-12-11-16(13-18(17)23)22(2,3)4/h6-14H,5H2,1-4H3
InChIKey
OFPAOFCGGZUXIQ-UHFFFAOYSA-N
Compound name
ethyl 3-benzoyl-7-tert-butylindolizine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1678 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.175076 185.7
[M+Na]+ 372.157018 193.9
[M-H]- 348.160524 192.7
[M+NH4]+ 367.201623 200.5
[M+K]+ 388.130958 189.7
[M+H-H2O]+ 332.165060 177.8
[M+HCOO]- 394.166001 205.3
[M+CH3COO]- 408.181651 214.5
[M+Na-2H]- 370.142466 187.3
[M]+ 349.16725142 191.1
[M]- 349.16834858 191.1
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.