CID 48292

66902-70-3

Structural Information

Molecular Formula
C23H29N2O
SMILES
CC1=C(N2C=CC=CC2=C1C(C)C[N+](C)(C)CC3=CC=CC=C3)C(=O)C
InChI
InChI=1S/C23H29N2O/c1-17(15-25(4,5)16-20-11-7-6-8-12-20)22-18(2)23(19(3)26)24-14-10-9-13-21(22)24/h6-14,17H,15-16H2,1-5H3/q+1
InChIKey
VOONQYSNJJDGSM-UHFFFAOYSA-N
Compound name
2-(3-acetyl-2-methylindolizin-1-yl)propyl-benzyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.228 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.23528 188.5
[M+Na]+ 372.21722 195.2
[M-H]- 348.22072 196.5
[M+NH4]+ 367.26182 203.5
[M+K]+ 388.19116 185.0
[M+H-H2O]+ 332.22526 182.5
[M+HCOO]- 394.22620 209.0
[M+CH3COO]- 408.24185 215.8
[M+Na-2H]- 370.20267 192.7
[M]+ 349.22745 191.6
[M]- 349.22855 191.6
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.