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 162.5
[M+Na]+ 299.06884 169.9
[M-H]- 275.07234 163.8
[M+NH4]+ 294.11344 179.1
[M+K]+ 315.04278 164.1
[M+H-H2O]+ 259.07688 158.5
[M+HCOO]- 321.07782 174.7
[M+CH3COO]- 335.09347 202.6
[M+Na-2H]- 297.05429 162.2
[M]+ 276.07907 163.7
[M]- 276.08017 163.7
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