CID 217245

38339-10-5

Structural Information

Molecular Formula
C11H16Cl2N2O
SMILES
CCCNCC(C1=CC(=C(C(=C1)Cl)N)Cl)O
InChI
InChI=1S/C11H16Cl2N2O/c1-2-3-15-6-10(16)7-4-8(12)11(14)9(13)5-7/h4-5,10,15-16H,2-3,6,14H2,1H3
InChIKey
IFBFPELKOBCCTN-UHFFFAOYSA-N
Compound name
1-(4-amino-3,5-dichlorophenyl)-2-(propylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

262.06396 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.07124 158.0
[M+Na]+ 285.05318 166.1
[M-H]- 261.05668 159.4
[M+NH4]+ 280.09778 175.2
[M+K]+ 301.02712 159.9
[M+H-H2O]+ 245.06122 154.0
[M+HCOO]- 307.06216 171.5
[M+CH3COO]- 321.07781 198.7
[M+Na-2H]- 283.03863 159.4
[M]+ 262.06341 159.4
[M]- 262.06451 159.4
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