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]+ 364.19072 189.8
[M+Na]+ 386.17266 198.4
[M-H]- 362.17616 196.9
[M+NH4]+ 381.21726 204.3
[M+K]+ 402.14660 194.1
[M+H-H2O]+ 346.18070 181.9
[M+HCOO]- 408.18164 209.0
[M+CH3COO]- 422.19729 218.7
[M+Na-2H]- 384.15811 190.3
[M]+ 363.18289 196.0
[M]- 363.18399 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.