CID 102230

1,4-cyclohexanediamine, n,n'-bis(2-chlorobenzyl)-, dihydrochloride, (z)-

Structural Information

Molecular Formula
C20H24Cl2N2
SMILES
C1CC(CCC1NCC2=CC=CC=C2Cl)NCC3=CC=CC=C3Cl
InChI
InChI=1S/C20H24Cl2N2/c21-19-7-3-1-5-15(19)13-23-17-9-11-18(12-10-17)24-14-16-6-2-4-8-20(16)22/h1-8,17-18,23-24H,9-14H2
InChIKey
PCKYGHNAEAZETO-UHFFFAOYSA-N
Compound name
1-N,4-N-bis[(2-chlorophenyl)methyl]cyclohexane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

362.13165 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.13893 186.8
[M+Na]+ 385.12087 191.4
[M-H]- 361.12437 193.9
[M+NH4]+ 380.16547 199.6
[M+K]+ 401.09481 183.0
[M+H-H2O]+ 345.12891 178.4
[M+HCOO]- 407.12985 198.4
[M+CH3COO]- 421.14550 195.3
[M+Na-2H]- 383.10632 188.2
[M]+ 362.13110 184.7
[M]- 362.13220 184.7
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

patents stripe