CID 3059179

1-(m-tolyloxy)-3-((2-(2,5-xylidino)ethyl)amino)-2-propanol hydrochloride

Structural Information

Molecular Formula
C20H28N2O2
SMILES
CC1=CC(=CC=C1)OCC(CNCCNC2=C(C=CC(=C2)C)C)O
InChI
InChI=1S/C20H28N2O2/c1-15-5-4-6-19(11-15)24-14-18(23)13-21-9-10-22-20-12-16(2)7-8-17(20)3/h4-8,11-12,18,21-23H,9-10,13-14H2,1-3H3
InChIKey
JLKNAWKJGVORQZ-UHFFFAOYSA-N
Compound name
1-[2-(2,5-dimethylanilino)ethylamino]-3-(3-methylphenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

328.2151 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.22238 183.3
[M+Na]+ 351.20432 194.7
[M+NH4]+ 346.24892 190.2
[M+K]+ 367.17826 187.0
[M-H]- 327.20782 188.1
[M+Na-2H]- 349.18977 190.1
[M]+ 328.21455 186.2
[M]- 328.21565 186.2
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