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 181.6
[M+Na]+ 351.20432 185.7
[M-H]- 327.20782 186.4
[M+NH4]+ 346.24892 194.4
[M+K]+ 367.17826 181.3
[M+H-H2O]+ 311.21236 172.8
[M+HCOO]- 373.21330 203.8
[M+CH3COO]- 387.22895 216.0
[M+Na-2H]- 349.18977 183.3
[M]+ 328.21455 182.9
[M]- 328.21565 182.9
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