CID 39721

50558-10-6

Structural Information

Molecular Formula
C33H63ClN2
SMILES
CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCC[N+](C)(C)CC1=CC=C(C=C1)Cl
InChI
InChI=1S/C33H63ClN2/c1-6-7-8-9-10-11-12-15-18-21-28-35(2,3)29-22-19-16-13-14-17-20-23-30-36(4,5)31-32-24-26-33(34)27-25-32/h24-27H,6-23,28-31H2,1-5H3/q+2
InChIKey
ZIZNFVLRJZVYPH-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)methyl-[10-[dodecyl(dimethyl)azaniumyl]decyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.46796 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.47524 261.4
[M+Na]+ 545.45718 264.4
[M+NH4]+ 540.50178 266.3
[M+K]+ 561.43112 266.5
[M-H]- 521.46068 253.9
[M+Na-2H]- 543.44263 249.4
[M]+ 522.46741 260.5
[M]- 522.46851 260.5
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.