CID 213437

O-(3-diethylaminopropoxy)phenyl o-chlorophenyl ether hydrochloride

Structural Information

Molecular Formula
C19H24ClNO2
SMILES
CCN(CC)CCCOC1=CC=CC=C1OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C19H24ClNO2/c1-3-21(4-2)14-7-15-22-18-8-5-6-9-19(18)23-17-12-10-16(20)11-13-17/h5-6,8-13H,3-4,7,14-15H2,1-2H3
InChIKey
WMYYGRCKGHTCNH-UHFFFAOYSA-N
Compound name
3-[2-(4-chlorophenoxy)phenoxy]-N,N-diethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.14957 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15685 180.2
[M+Na]+ 356.13879 186.4
[M-H]- 332.14229 187.4
[M+NH4]+ 351.18339 195.2
[M+K]+ 372.11273 181.9
[M+H-H2O]+ 316.14683 171.8
[M+HCOO]- 378.14777 200.2
[M+CH3COO]- 392.16342 215.1
[M+Na-2H]- 354.12424 183.1
[M]+ 333.14902 187.4
[M]- 333.15012 187.4
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.