CID 217250

Brn 2853232

Structural Information

Molecular Formula
C12H18Cl2N2O
SMILES
CCC(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O
InChI
InChI=1S/C12H18Cl2N2O/c1-3-7(2)16-6-11(17)8-4-9(13)12(15)10(14)5-8/h4-5,7,11,16-17H,3,6,15H2,1-2H3
InChIKey
KWXMOWUQCHEWJG-UHFFFAOYSA-N
Compound name
1-(4-amino-3,5-dichlorophenyl)-2-(butan-2-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 161.8
[M+Na]+ 299.06884 173.0
[M+NH4]+ 294.11344 169.4
[M+K]+ 315.04278 166.6
[M-H]- 275.07234 163.8
[M+Na-2H]- 297.05429 166.1
[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