CID 16340

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

Structural Information

Molecular Formula
C20H26Cl2N2
SMILES
C1=CC=C(C(=C1)CNCCCCCCNCC2=CC=CC=C2Cl)Cl
InChI
InChI=1S/C20H26Cl2N2/c21-19-11-5-3-9-17(19)15-23-13-7-1-2-8-14-24-16-18-10-4-6-12-20(18)22/h3-6,9-12,23-24H,1-2,7-8,13-16H2
InChIKey
RXXFLAYTVCMLBI-UHFFFAOYSA-N
Compound name
N,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1473 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.15458 188.5
[M+Na]+ 387.13652 193.9
[M-H]- 363.14002 192.9
[M+NH4]+ 382.18112 201.7
[M+K]+ 403.11046 185.2
[M+H-H2O]+ 347.14456 180.8
[M+HCOO]- 409.14550 203.0
[M+CH3COO]- 423.16115 219.7
[M+Na-2H]- 385.12197 191.0
[M]+ 364.14675 192.5
[M]- 364.14785 192.5
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.