CID 3054486

1-((2-anilinoethyl)amino)-3-phenoxy-2-propanol dihydrochloride

Structural Information

Molecular Formula
C17H22N2O2
SMILES
C1=CC=C(C=C1)NCCNCC(COC2=CC=CC=C2)O
InChI
InChI=1S/C17H22N2O2/c20-16(14-21-17-9-5-2-6-10-17)13-18-11-12-19-15-7-3-1-4-8-15/h1-10,16,18-20H,11-14H2
InChIKey
XOAOZLURJAWHDT-UHFFFAOYSA-N
Compound name
1-(2-anilinoethylamino)-3-phenoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

286.16812 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17540 166.5
[M+Na]+ 309.15734 169.1
[M-H]- 285.16084 170.6
[M+NH4]+ 304.20194 180.0
[M+K]+ 325.13128 165.1
[M+H-H2O]+ 269.16538 157.7
[M+HCOO]- 331.16632 189.8
[M+CH3COO]- 345.18197 203.4
[M+Na-2H]- 307.14279 172.2
[M]+ 286.16757 165.5
[M]- 286.16867 165.5
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