CID 3054449

1-((2-(2,6-dichloroanilino)ethyl)amino)-3-phenoxy-2-propanol hydrochloride

Structural Information

Molecular Formula
C17H20Cl2N2O2
SMILES
C1=CC=C(C=C1)OCC(CNCCNC2=C(C=CC=C2Cl)Cl)O
InChI
InChI=1S/C17H20Cl2N2O2/c18-15-7-4-8-16(19)17(15)21-10-9-20-11-13(22)12-23-14-5-2-1-3-6-14/h1-8,13,20-22H,9-12H2
InChIKey
FNUUCCYETJKAGB-UHFFFAOYSA-N
Compound name
1-[2-(2,6-dichloroanilino)ethylamino]-3-phenoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

354.09018 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.09746 179.6
[M+Na]+ 377.07940 185.4
[M-H]- 353.08290 183.6
[M+NH4]+ 372.12400 192.5
[M+K]+ 393.05334 178.5
[M+H-H2O]+ 337.08744 172.9
[M+HCOO]- 399.08838 193.4
[M+CH3COO]- 413.10403 213.5
[M+Na-2H]- 375.06485 182.5
[M]+ 354.08963 183.2
[M]- 354.09073 183.2
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