CID 3053527

Phenol, m-(2-(n-ethylphenethylamino)ethyl)-, fumarate (1:1)

Structural Information

Molecular Formula
C18H23NO
SMILES
CCN(CCC1=CC=CC=C1)CCC2=CC(=CC=C2)O
InChI
InChI=1S/C18H23NO/c1-2-19(13-11-16-7-4-3-5-8-16)14-12-17-9-6-10-18(20)15-17/h3-10,15,20H,2,11-14H2,1H3
InChIKey
GBRNSCBMRODEIP-UHFFFAOYSA-N
Compound name
3-[2-[ethyl(2-phenylethyl)amino]ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.17798 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.18526 166.8
[M+Na]+ 292.16720 180.2
[M+NH4]+ 287.21180 175.6
[M+K]+ 308.14114 171.3
[M-H]- 268.17070 172.4
[M+Na-2H]- 290.15265 176.1
[M]+ 269.17743 170.4
[M]- 269.17853 170.4
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.