CID 217256

Clenhexerol

Structural Information

Molecular Formula
C14H22Cl2N2O
SMILES
CCCC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O
InChI
InChI=1S/C14H22Cl2N2O/c1-4-5-14(2,3)18-8-12(19)9-6-10(15)13(17)11(16)7-9/h6-7,12,18-19H,4-5,8,17H2,1-3H3
InChIKey
KHXXYLDDCIKREX-UHFFFAOYSA-N
Compound name
1-(4-amino-3,5-dichlorophenyl)-2-(2-methylpentan-2-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.11093 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.11821 172.0
[M+Na]+ 327.10015 179.1
[M-H]- 303.10365 173.2
[M+NH4]+ 322.14475 187.6
[M+K]+ 343.07409 172.8
[M+H-H2O]+ 287.10819 167.8
[M+HCOO]- 349.10913 182.9
[M+CH3COO]- 363.12478 208.0
[M+Na-2H]- 325.08560 172.5
[M]+ 304.11038 173.9
[M]- 304.11148 173.9
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

No patent data available for this compound.