CID 3064062

3-(alpha-(2-(dimethylamino)ethoxy)benzyl)-4-methylphenol fumarate

Structural Information

Molecular Formula
C18H23NO2
SMILES
CC1=C(C=C(C=C1)O)C(C2=CC=CC=C2)OCCN(C)C
InChI
InChI=1S/C18H23NO2/c1-14-9-10-16(20)13-17(14)18(21-12-11-19(2)3)15-7-5-4-6-8-15/h4-10,13,18,20H,11-12H2,1-3H3
InChIKey
BIVVLBZFMRPJLG-UHFFFAOYSA-N
Compound name
3-[2-(dimethylamino)ethoxy-phenylmethyl]-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.17288 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.18016 169.4
[M+Na]+ 308.16210 182.4
[M+NH4]+ 303.20670 177.6
[M+K]+ 324.13604 175.1
[M-H]- 284.16560 174.4
[M+Na-2H]- 306.14755 177.7
[M]+ 285.17233 172.7
[M]- 285.17343 172.7
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.