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
2
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 171.6
[M+Na]+ 341.07940 177.2
[M-H]- 317.08290 174.0
[M+NH4]+ 336.12400 185.4
[M+K]+ 357.05334 170.5
[M+H-H2O]+ 301.08744 166.8
[M+HCOO]- 363.08838 180.1
[M+CH3COO]- 377.10403 205.6
[M+Na-2H]- 339.06485 170.3
[M]+ 318.08963 167.9
[M]- 318.09073 167.9
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