CID 48308

Unii-38nik6rgmz

Structural Information

Molecular Formula
C24H34Cl2NO2
SMILES
CCC(C)(C)C1=CC(=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C24H34Cl2NO2/c1-6-24(2,3)20-9-12-23(22(26)17-20)29-16-15-28-14-13-27(4,5)18-19-7-10-21(25)11-8-19/h7-12,17H,6,13-16,18H2,1-5H3/q+1
InChIKey
RTMMVJFPTCJOPX-UHFFFAOYSA-N
Compound name
2-[2-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethyl-[(4-chlorophenyl)methyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.19666 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.20394 209.6
[M+Na]+ 461.18588 215.4
[M-H]- 437.18938 216.0
[M+NH4]+ 456.23048 221.2
[M+K]+ 477.15982 203.7
[M+H-H2O]+ 421.19392 204.6
[M+HCOO]- 483.19486 219.9
[M+CH3COO]- 497.21051 228.3
[M+Na-2H]- 459.17133 213.5
[M]+ 438.19611 218.0
[M]- 438.19721 218.0
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.