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

2
Patents

286.16812 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.175396 166.5
[M+Na]+ 309.157338 169.1
[M-H]- 285.160844 170.6
[M+NH4]+ 304.201943 180.0
[M+K]+ 325.131278 165.1
[M+H-H2O]+ 269.165380 157.7
[M+HCOO]- 331.166321 189.8
[M+CH3COO]- 345.181971 203.4
[M+Na-2H]- 307.142786 172.2
[M]+ 286.16757142 165.5
[M]- 286.16866858 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