CID 170033

Clenpenterol

Structural Information

Molecular Formula
C13H20Cl2N2O
SMILES
CCC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O
InChI
InChI=1S/C13H20Cl2N2O/c1-4-13(2,3)17-7-11(18)8-5-9(14)12(16)10(15)6-8/h5-6,11,17-18H,4,7,16H2,1-3H3
InChIKey
QVBOTMGSBYXVJQ-UHFFFAOYSA-N
Compound name
1-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

13
Patents

290.09528 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.10256 167.4
[M+Na]+ 313.08450 175.0
[M-H]- 289.08800 168.9
[M+NH4]+ 308.12910 183.6
[M+K]+ 329.05844 168.9
[M+H-H2O]+ 273.09254 163.5
[M+HCOO]- 335.09348 178.7
[M+CH3COO]- 349.10913 205.0
[M+Na-2H]- 311.06995 168.5
[M]+ 290.09473 169.0
[M]- 290.09583 169.0
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