CID 23458

7043-67-6

Structural Information

Molecular Formula
C24H33Cl2N2
SMILES
C[N+](C)(CC1CCC(CC1)CNCC2=CC=CC=C2Cl)CC3=CC=CC=C3Cl
InChI
InChI=1S/C24H33Cl2N2/c1-28(2,18-22-8-4-6-10-24(22)26)17-20-13-11-19(12-14-20)15-27-16-21-7-3-5-9-23(21)25/h3-10,19-20,27H,11-18H2,1-2H3/q+1
InChIKey
BOFRRUMYUOCHNB-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)methyl-[[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.2021 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.209376 205.9
[M+Na]+ 442.191318 208.7
[M-H]- 418.194824 213.7
[M+NH4]+ 437.235923 216.9
[M+K]+ 458.165258 195.4
[M+H-H2O]+ 402.199360 199.4
[M+HCOO]- 464.200301 215.3
[M+CH3COO]- 478.215951 225.7
[M+Na-2H]- 440.176766 208.1
[M]+ 419.20155142 204.8
[M]- 419.20264858 204.8
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.