CID 213506

O-(3-dipropylamino-2-hydroxypropoxy)phenyl o-tolyl ether hydrochloride

Structural Information

Molecular Formula
C22H31NO3
SMILES
CCCN(CCC)CC(COC1=CC=CC=C1OC2=CC=CC=C2C)O
InChI
InChI=1S/C22H31NO3/c1-4-14-23(15-5-2)16-19(24)17-25-21-12-8-9-13-22(21)26-20-11-7-6-10-18(20)3/h6-13,19,24H,4-5,14-17H2,1-3H3
InChIKey
FRQRJLIBOAZCSF-UHFFFAOYSA-N
Compound name
1-(dipropylamino)-3-[2-(2-methylphenoxy)phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.2304 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.237676 190.8
[M+Na]+ 380.219618 193.9
[M-H]- 356.223124 196.3
[M+NH4]+ 375.264223 202.9
[M+K]+ 396.193558 191.0
[M+H-H2O]+ 340.227660 181.3
[M+HCOO]- 402.228601 211.9
[M+CH3COO]- 416.244251 220.8
[M+Na-2H]- 378.205066 190.9
[M]+ 357.22985142 195.6
[M]- 357.23094858 195.6
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

No patent data available for this compound.