CID 48284

66902-65-6

Structural Information

Molecular Formula
C22H35N2O
SMILES
CCCCCC[N+](C)(C)CC(C)C1=C2C=CC=CN2C(=C1C)C(=O)C
InChI
InChI=1S/C22H35N2O/c1-7-8-9-12-15-24(5,6)16-17(2)21-18(3)22(19(4)25)23-14-11-10-13-20(21)23/h10-11,13-14,17H,7-9,12,15-16H2,1-6H3/q+1
InChIKey
JWQCDPVNRXBUFB-UHFFFAOYSA-N
Compound name
2-(3-acetyl-2-methylindolizin-1-yl)propyl-hexyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.27493 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.28221 189.1
[M+Na]+ 366.26415 195.3
[M-H]- 342.26765 193.6
[M+NH4]+ 361.30875 205.1
[M+K]+ 382.23809 185.9
[M+H-H2O]+ 326.27219 184.3
[M+HCOO]- 388.27313 208.8
[M+CH3COO]- 402.28878 217.2
[M+Na-2H]- 364.24960 191.8
[M]+ 343.27438 194.5
[M]- 343.27548 194.5
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.