CID 24212716

853329-62-1

Structural Information

Molecular Formula
C22H22ClNO3
SMILES
CCOC(=O)C1=C2C=C(C=CN2C(=C1)C(=O)C3=CC=C(C=C3)Cl)C(C)(C)C
InChI
InChI=1S/C22H22ClNO3/c1-5-27-21(26)17-13-19(20(25)14-6-8-16(23)9-7-14)24-11-10-15(12-18(17)24)22(2,3)4/h6-13H,5H2,1-4H3
InChIKey
BHEHPLBTUKLDMG-UHFFFAOYSA-N
Compound name
ethyl 7-tert-butyl-3-(4-chlorobenzoyl)indolizine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1288 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.13608 192.3
[M+Na]+ 406.11802 202.2
[M-H]- 382.12152 199.5
[M+NH4]+ 401.16262 206.9
[M+K]+ 422.09196 196.4
[M+H-H2O]+ 366.12606 185.0
[M+HCOO]- 428.12700 207.3
[M+CH3COO]- 442.14265 219.2
[M+Na-2H]- 404.10347 192.8
[M]+ 383.12825 200.5
[M]- 383.12935 200.5
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.