CID 48322

66902-88-3

Structural Information

Molecular Formula
C23H27Cl2N2O
SMILES
CC1=C(N2C=CC=CC2=C1C(C)C[N+](C)(C)CC3=C(C=C(C=C3)Cl)Cl)C(=O)C
InChI
InChI=1S/C23H27Cl2N2O/c1-15(13-27(4,5)14-18-9-10-19(24)12-20(18)25)22-16(2)23(17(3)28)26-11-7-6-8-21(22)26/h6-12,15H,13-14H2,1-5H3/q+1
InChIKey
UQAXIYBEEWQTPS-UHFFFAOYSA-N
Compound name
2-(3-acetyl-2-methylindolizin-1-yl)propyl-[(2,4-dichlorophenyl)methyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.15005 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.15733 202.8
[M+Na]+ 440.13927 212.1
[M-H]- 416.14277 210.1
[M+NH4]+ 435.18387 216.8
[M+K]+ 456.11321 199.4
[M+H-H2O]+ 400.14731 197.9
[M+HCOO]- 462.14825 213.4
[M+CH3COO]- 476.16390 225.5
[M+Na-2H]- 438.12472 204.1
[M]+ 417.14950 210.2
[M]- 417.15060 210.2
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.