CID 48298

66902-73-6

Structural Information

Molecular Formula
C20H31N2O
SMILES
CCCC[N+](C)(C)CC(C)C1=C2C=CC=CN2C(=C1C)C(=O)C
InChI
InChI=1S/C20H31N2O/c1-7-8-13-22(5,6)14-15(2)19-16(3)20(17(4)23)21-12-10-9-11-18(19)21/h9-12,15H,7-8,13-14H2,1-6H3/q+1
InChIKey
GNWQXVYXGJALMQ-UHFFFAOYSA-N
Compound name
2-(3-acetyl-2-methylindolizin-1-yl)propyl-butyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.24365 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.25093 179.4
[M+Na]+ 338.23287 186.5
[M-H]- 314.23637 184.3
[M+NH4]+ 333.27747 196.6
[M+K]+ 354.20681 177.6
[M+H-H2O]+ 298.24091 175.1
[M+HCOO]- 360.24185 199.8
[M+CH3COO]- 374.25750 211.2
[M+Na-2H]- 336.21832 183.2
[M]+ 315.24310 184.2
[M]- 315.24420 184.2
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.