CID 16342

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

Structural Information

Molecular Formula
C21H28Cl2N2
SMILES
C1=CC=C(C(=C1)CNCCCCCCCNCC2=CC=CC=C2Cl)Cl
InChI
InChI=1S/C21H28Cl2N2/c22-20-12-6-4-10-18(20)16-24-14-8-2-1-3-9-15-25-17-19-11-5-7-13-21(19)23/h4-7,10-13,24-25H,1-3,8-9,14-17H2
InChIKey
VONLKRGCZFQPLQ-UHFFFAOYSA-N
Compound name
N,N'-bis[(2-chlorophenyl)methyl]heptane-1,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.16296 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.17024 194.4
[M+Na]+ 401.15218 208.4
[M+NH4]+ 396.19678 203.1
[M+K]+ 417.12612 196.4
[M-H]- 377.15568 200.5
[M+Na-2H]- 399.13763 202.7
[M]+ 378.16241 198.8
[M]- 378.16351 198.8
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.