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]+ 350.17508 183.7
[M+Na]+ 372.15702 197.4
[M+NH4]+ 367.20162 190.6
[M+K]+ 388.13096 192.6
[M-H]- 348.16052 186.4
[M+Na-2H]- 370.14247 190.5
[M]+ 349.16725 186.5
[M]- 349.16835 186.5
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.