CID 3066826

4-(bis(p-chlorophenyl)methyl)-1-ethyl-1-methylpiperazinium iodide

Structural Information

Molecular Formula
C20H25Cl2N2
SMILES
CC[N+]1(CCN(CC1)C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C20H25Cl2N2/c1-3-24(2)14-12-23(13-15-24)20(16-4-8-18(21)9-5-16)17-6-10-19(22)11-7-17/h4-11,20H,3,12-15H2,1-2H3/q+1
InChIKey
WDUUAPBVMVHLRW-UHFFFAOYSA-N
Compound name
4-[bis(4-chlorophenyl)methyl]-1-ethyl-1-methylpiperazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.13947 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.14675 185.1
[M+Na]+ 386.12869 203.9
[M+NH4]+ 381.17329 197.0
[M+K]+ 402.10263 191.7
[M-H]- 362.13219 193.1
[M+Na-2H]- 384.11414 197.0
[M]+ 363.13892 191.5
[M]- 363.14002 191.5
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.