CID 46783606

Clencyclohexerol

Structural Information

Molecular Formula
C14H20Cl2N2O2
SMILES
C1CC(CCC1NCC(C2=CC(=C(C(=C2)Cl)N)Cl)O)O
InChI
InChI=1S/C14H20Cl2N2O2/c15-11-5-8(6-12(16)14(11)17)13(20)7-18-9-1-3-10(19)4-2-9/h5-6,9-10,13,18-20H,1-4,7,17H2
InChIKey
DKFLKXDTRUWFDL-UHFFFAOYSA-N
Compound name
4-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

318.09018 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.09746 170.2
[M+Na]+ 341.07940 181.0
[M+NH4]+ 336.12400 177.8
[M+K]+ 357.05334 174.5
[M-H]- 317.08290 173.7
[M+Na-2H]- 339.06485 174.8
[M]+ 318.08963 173.0
[M]- 318.09073 173.0
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

patents stripe