CID 24208980

853329-79-0

Structural Information

Molecular Formula
C23H25NO3
SMILES
CCOC(=O)C1=C2C=C(C=CN2C(=C1)C(=O)C3=CC=C(C=C3)C)C(C)(C)C
InChI
InChI=1S/C23H25NO3/c1-6-27-22(26)18-14-20(21(25)16-9-7-15(2)8-10-16)24-12-11-17(13-19(18)24)23(3,4)5/h7-14H,6H2,1-5H3
InChIKey
VJDWIZQZYYPLFB-UHFFFAOYSA-N
Compound name
ethyl 7-tert-butyl-3-(4-methylbenzoyl)indolizine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.18344 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.190716 189.8
[M+Na]+ 386.172658 198.4
[M-H]- 362.176164 196.9
[M+NH4]+ 381.217263 204.3
[M+K]+ 402.146598 194.1
[M+H-H2O]+ 346.180700 181.9
[M+HCOO]- 408.181641 209.0
[M+CH3COO]- 422.197291 218.7
[M+Na-2H]- 384.158106 190.3
[M]+ 363.18289142 196.0
[M]- 363.18398858 196.0
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.