CID 3053527

70045-24-8

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 165.7
[M+Na]+ 292.16720 170.3
[M-H]- 268.17070 171.6
[M+NH4]+ 287.21180 181.5
[M+K]+ 308.14114 166.4
[M+H-H2O]+ 252.17524 157.4
[M+HCOO]- 314.17618 189.0
[M+CH3COO]- 328.19183 202.9
[M+Na-2H]- 290.15265 170.0
[M]+ 269.17743 166.6
[M]- 269.17853 166.6
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.