CID 217249

38339-14-9

Structural Information

Molecular Formula
C12H18Cl2N2O
SMILES
CCCCNCC(C1=CC(=C(C(=C1)Cl)N)Cl)O
InChI
InChI=1S/C12H18Cl2N2O/c1-2-3-4-16-7-11(17)8-5-9(13)12(15)10(14)6-8/h5-6,11,16-17H,2-4,7,15H2,1H3
InChIKey
DZJNVYOLNWBUED-UHFFFAOYSA-N
Compound name
1-(4-amino-3,5-dichlorophenyl)-2-(butylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

276.07962 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.08690 162.6
[M+Na]+ 299.06884 170.2
[M-H]- 275.07234 163.7
[M+NH4]+ 294.11344 179.1
[M+K]+ 315.04278 163.8
[M+H-H2O]+ 259.07688 158.3
[M+HCOO]- 321.07782 175.6
[M+CH3COO]- 335.09347 201.7
[M+Na-2H]- 297.05429 163.4
[M]+ 276.07907 164.3
[M]- 276.08017 164.3
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