CID 74930

Trimethylenediamine, n,n'-bis(o-chlorobenzyl)-, dihydrochloride

Structural Information

Molecular Formula
C17H20Cl2N2
SMILES
C1=CC=C(C(=C1)CNCCCNCC2=CC=CC=C2Cl)Cl
InChI
InChI=1S/C17H20Cl2N2/c18-16-8-3-1-6-14(16)12-20-10-5-11-21-13-15-7-2-4-9-17(15)19/h1-4,6-9,20-21H,5,10-13H2
InChIKey
PRUKFXXPLYCYHM-UHFFFAOYSA-N
Compound name
N,N'-bis[(2-chlorophenyl)methyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.10034 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.10762 175.2
[M+Na]+ 345.08956 181.9
[M-H]- 321.09306 180.2
[M+NH4]+ 340.13416 190.2
[M+K]+ 361.06350 173.8
[M+H-H2O]+ 305.09760 168.2
[M+HCOO]- 367.09854 190.8
[M+CH3COO]- 381.11419 211.0
[M+Na-2H]- 343.07501 179.3
[M]+ 322.09979 178.2
[M]- 322.10089 178.2
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.