CID 48286

66902-66-7

Structural Information

Molecular Formula
C21H33N2O
SMILES
CCCCC[N+](C)(C)CC(C)C1=C2C=CC=CN2C(=C1C)C(=O)C
InChI
InChI=1S/C21H33N2O/c1-7-8-11-14-23(5,6)15-16(2)20-17(3)21(18(4)24)22-13-10-9-12-19(20)22/h9-10,12-13,16H,7-8,11,14-15H2,1-6H3/q+1
InChIKey
ZVAPYAJELDPFCO-UHFFFAOYSA-N
Compound name
2-(3-acetyl-2-methylindolizin-1-yl)propyl-dimethyl-pentylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.25928 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.26656 184.3
[M+Na]+ 352.24850 191.0
[M-H]- 328.25200 189.0
[M+NH4]+ 347.29310 200.9
[M+K]+ 368.22244 181.7
[M+H-H2O]+ 312.25654 179.7
[M+HCOO]- 374.25748 204.3
[M+CH3COO]- 388.27313 214.2
[M+Na-2H]- 350.23395 187.5
[M]+ 329.25873 189.4
[M]- 329.25983 189.4
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.