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 161.2
[M+Na]+ 299.06884 172.8
[M+NH4]+ 294.11344 169.0
[M+K]+ 315.04278 165.6
[M-H]- 275.07234 163.5
[M+Na-2H]- 297.05429 166.0
[M]+ 276.07907 163.9
[M]- 276.08017 163.9
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