CID 16346

N,n'-decamethylenebis(2-chlorobenzylamine) dihydrochloride

Structural Information

Molecular Formula
C24H32Cl2N2
SMILES
CCCCCCCCC=C(NCC1=CC=CC=C1Cl)NCC2=CC=CC=C2Cl
InChI
InChI=1S/C24H32Cl2N2/c1-2-3-4-5-6-7-8-17-24(27-18-20-13-9-11-15-22(20)25)28-19-21-14-10-12-16-23(21)26/h9-17,27-28H,2-8,18-19H2,1H3
InChIKey
QOOPINJVHPMTJY-UHFFFAOYSA-N
Compound name
1-N,1-N'-bis[(2-chlorophenyl)methyl]dec-1-ene-1,1-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.19424 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.20152 206.1
[M+Na]+ 441.18346 209.8
[M-H]- 417.18696 209.9
[M+NH4]+ 436.22806 217.1
[M+K]+ 457.15740 200.1
[M+H-H2O]+ 401.19150 197.8
[M+HCOO]- 463.19244 218.6
[M+CH3COO]- 477.20809 230.7
[M+Na-2H]- 439.16891 205.3
[M]+ 418.19369 210.2
[M]- 418.19479 210.2
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.