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]+ 358.23768 190.8
[M+Na]+ 380.21962 193.9
[M-H]- 356.22312 196.3
[M+NH4]+ 375.26422 202.9
[M+K]+ 396.19356 191.0
[M+H-H2O]+ 340.22766 181.3
[M+HCOO]- 402.22860 211.9
[M+CH3COO]- 416.24425 220.8
[M+Na-2H]- 378.20507 190.9
[M]+ 357.22985 195.6
[M]- 357.23095 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.