CID 48310

66902-79-2

Structural Information

Molecular Formula
C23H32Cl2NO2
SMILES
CC1=CC(=C(C=C1Cl)C(C)C)OCCOCC[N+](C)(C)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C23H32Cl2NO2/c1-17(2)21-15-22(25)18(3)14-23(21)28-13-12-27-11-10-26(4,5)16-19-6-8-20(24)9-7-19/h6-9,14-15,17H,10-13,16H2,1-5H3/q+1
InChIKey
MVTHMUKVHHOQBS-UHFFFAOYSA-N
Compound name
2-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethoxy]ethyl-[(4-chlorophenyl)methyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.181 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.18828 204.1
[M+Na]+ 447.17022 210.6
[M-H]- 423.17372 210.8
[M+NH4]+ 442.21482 216.4
[M+K]+ 463.14416 199.1
[M+H-H2O]+ 407.17826 199.5
[M+HCOO]- 469.17920 215.4
[M+CH3COO]- 483.19485 226.8
[M+Na-2H]- 445.15567 205.8
[M]+ 424.18045 212.5
[M]- 424.18155 212.5
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.