CID 213447

Phenetole, o-(p-chlorophenoxy)-beta-dimethylamino-alpha-methyl-, maleate

Structural Information

Molecular Formula
C17H20ClNO2
SMILES
CC(CN(C)C)OC1=CC=CC=C1OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H20ClNO2/c1-13(12-19(2)3)20-16-6-4-5-7-17(16)21-15-10-8-14(18)9-11-15/h4-11,13H,12H2,1-3H3
InChIKey
IJNCPTRNZXQDIX-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenoxy)phenoxy]-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.11826 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12554 170.7
[M+Na]+ 328.10748 177.5
[M-H]- 304.11098 178.4
[M+NH4]+ 323.15208 186.8
[M+K]+ 344.08142 174.1
[M+H-H2O]+ 288.11552 163.0
[M+HCOO]- 350.11646 190.4
[M+CH3COO]- 364.13211 210.1
[M+Na-2H]- 326.09293 173.6
[M]+ 305.11771 176.7
[M]- 305.11881 176.7
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.