CID 54691168

6-butyl-7-hydroxy-8-phenyl-1,2,3-trihydroindolizin-5-one

Structural Information

Molecular Formula
C18H21NO2
SMILES
CCCCC1=C(C(=C2CCCN2C1=O)C3=CC=CC=C3)O
InChI
InChI=1S/C18H21NO2/c1-2-3-10-14-17(20)16(13-8-5-4-6-9-13)15-11-7-12-19(15)18(14)21/h4-6,8-9,20H,2-3,7,10-12H2,1H3
InChIKey
DYBAAFFLIDHDRQ-UHFFFAOYSA-N
Compound name
6-butyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.15723 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 166.8
[M+Na]+ 306.14645 175.4
[M-H]- 282.14995 172.1
[M+NH4]+ 301.19105 183.9
[M+K]+ 322.12039 169.7
[M+H-H2O]+ 266.15449 159.2
[M+HCOO]- 328.15543 186.8
[M+CH3COO]- 342.17108 199.9
[M+Na-2H]- 304.13190 168.8
[M]+ 283.15668 167.8
[M]- 283.15778 167.8
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.