CID 217255

Brn 2849846

Structural Information

Molecular Formula
C13H20Cl2N2O
SMILES
CC(C)(C)CNCC(C1=CC(=C(C(=C1)Cl)N)Cl)O
InChI
InChI=1S/C13H20Cl2N2O/c1-13(2,3)7-17-6-11(18)8-4-9(14)12(16)10(15)5-8/h4-5,11,17-18H,6-7,16H2,1-3H3
InChIKey
BQAHCFXTJMGEQB-UHFFFAOYSA-N
Compound name
1-(4-amino-3,5-dichlorophenyl)-2-(2,2-dimethylpropylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

290.09528 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.10256 167.7
[M+Na]+ 313.08450 175.4
[M-H]- 289.08800 169.2
[M+NH4]+ 308.12910 184.0
[M+K]+ 329.05844 169.3
[M+H-H2O]+ 273.09254 163.8
[M+HCOO]- 335.09348 179.0
[M+CH3COO]- 349.10913 204.4
[M+Na-2H]- 311.06995 168.8
[M]+ 290.09473 169.2
[M]- 290.09583 169.2
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