CID 16344

2056-23-7

Structural Information

Molecular Formula
C23H32Cl2N2
SMILES
C1=CC=C(C(=C1)CNCCCCCCCCCNCC2=CC=CC=C2Cl)Cl
InChI
InChI=1S/C23H32Cl2N2/c24-22-14-8-6-12-20(22)18-26-16-10-4-2-1-3-5-11-17-27-19-21-13-7-9-15-23(21)25/h6-9,12-15,26-27H,1-5,10-11,16-19H2
InChIKey
NBSUGARTIQDRJL-UHFFFAOYSA-N
Compound name
N,N'-bis[(2-chlorophenyl)methyl]nonane-1,9-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.19424 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.20152 201.6
[M+Na]+ 429.18346 205.7
[M-H]- 405.18696 205.4
[M+NH4]+ 424.22806 213.1
[M+K]+ 445.15740 196.3
[M+H-H2O]+ 389.19150 193.3
[M+HCOO]- 451.19244 215.1
[M+CH3COO]- 465.20809 228.4
[M+Na-2H]- 427.16891 202.6
[M]+ 406.19369 206.7
[M]- 406.19479 206.7
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.