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

6
Patents

328.2151 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.222376 181.6
[M+Na]+ 351.204318 185.7
[M-H]- 327.207824 186.4
[M+NH4]+ 346.248923 194.4
[M+K]+ 367.178258 181.3
[M+H-H2O]+ 311.212360 172.8
[M+HCOO]- 373.213301 203.8
[M+CH3COO]- 387.228951 216.0
[M+Na-2H]- 349.189766 183.3
[M]+ 328.21455142 182.9
[M]- 328.21564858 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