CID 32605

24737-60-8

Structural Information

Molecular Formula
C30H48Cl2N2
SMILES
C[N+](C)(CCCCCCCCCCCC[N+](C)(C)CC1=CC=C(C=C1)Cl)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C30H48Cl2N2/c1-33(2,25-27-15-19-29(31)20-16-27)23-13-11-9-7-5-6-8-10-12-14-24-34(3,4)26-28-17-21-30(32)22-18-28/h15-22H,5-14,23-26H2,1-4H3/q+2
InChIKey
MASYLBCKBFADGC-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)methyl-[12-[(4-chlorophenyl)methyl-dimethylazaniumyl]dodecyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

506.31946 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.32674 235.3
[M+Na]+ 529.30868 251.9
[M+NH4]+ 524.35328 245.2
[M+K]+ 545.28262 239.9
[M-H]- 505.31218 244.3
[M+Na-2H]- 527.29413 244.1
[M]+ 506.31891 242.0
[M]- 506.32001 242.0
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.