CID 217247

38339-12-7

Structural Information

Molecular Formula
C11H16Cl2N2O2
SMILES
CC(C)(NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O)O
InChI
InChI=1S/C11H16Cl2N2O2/c1-11(2,17)15-5-9(16)6-3-7(12)10(14)8(13)4-6/h3-4,9,15-17H,5,14H2,1-2H3
InChIKey
VRJQLDXHONBMMF-UHFFFAOYSA-N
Compound name
2-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.05887 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.06615 160.6
[M+Na]+ 301.04809 168.5
[M-H]- 277.05159 161.1
[M+NH4]+ 296.09269 176.5
[M+K]+ 317.02203 162.7
[M+H-H2O]+ 261.05613 157.3
[M+HCOO]- 323.05707 171.3
[M+CH3COO]- 337.07272 199.0
[M+Na-2H]- 299.03354 162.5
[M]+ 278.05832 161.1
[M]- 278.05942 161.1
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

No patent data available for this compound.