CID 102202

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

Structural Information

Molecular Formula
C25H36Cl2N2
SMILES
C1=CC=C(C(=C1)CNCCCCCCCCCCCNCC2=CC=CC=C2Cl)Cl
InChI
InChI=1S/C25H36Cl2N2/c26-24-16-10-8-14-22(24)20-28-18-12-6-4-2-1-3-5-7-13-19-29-21-23-15-9-11-17-25(23)27/h8-11,14-17,28-29H,1-7,12-13,18-21H2
InChIKey
KCHOUSVJHIPQDJ-UHFFFAOYSA-N
Compound name
N,N'-bis[(2-chlorophenyl)methyl]undecane-1,11-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.22556 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.23284 210.3
[M+Na]+ 457.21478 213.4
[M-H]- 433.21828 213.6
[M+NH4]+ 452.25938 220.6
[M+K]+ 473.18872 203.6
[M+H-H2O]+ 417.22282 201.4
[M+HCOO]- 479.22376 223.1
[M+CH3COO]- 493.23941 234.1
[M+Na-2H]- 455.20023 210.2
[M]+ 434.22501 216.0
[M]- 434.22611 216.0
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.