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 203.5
[M+Na]+ 429.18346 217.1
[M+NH4]+ 424.22806 211.8
[M+K]+ 445.15740 204.6
[M-H]- 405.18696 209.5
[M+Na-2H]- 427.16891 211.2
[M]+ 406.19369 207.8
[M]- 406.19479 207.8
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.