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 185.7
[M+Na]+ 372.15702 193.9
[M-H]- 348.16052 192.7
[M+NH4]+ 367.20162 200.5
[M+K]+ 388.13096 189.7
[M+H-H2O]+ 332.16506 177.8
[M+HCOO]- 394.16600 205.3
[M+CH3COO]- 408.18165 214.5
[M+Na-2H]- 370.14247 187.3
[M]+ 349.16725 191.1
[M]- 349.16835 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.