CID 62320

1-(3-hydroxyphenyl)-1-oxo-2-(n-benzyl-n-ethyl)aminoethane hydrochloride

Structural Information

Molecular Formula
C17H19NO2
SMILES
CCN(CC1=CC=CC=C1)CC(=O)C2=CC(=CC=C2)O
InChI
InChI=1S/C17H19NO2/c1-2-18(12-14-7-4-3-5-8-14)13-17(20)15-9-6-10-16(19)11-15/h3-11,19H,2,12-13H2,1H3
InChIKey
BBEZNAJZTFTHOG-UHFFFAOYSA-N
Compound name
2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.14157 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14885 163.6
[M+Na]+ 292.13079 168.5
[M-H]- 268.13429 169.8
[M+NH4]+ 287.17539 179.1
[M+K]+ 308.10473 165.4
[M+H-H2O]+ 252.13883 155.4
[M+HCOO]- 314.13977 186.6
[M+CH3COO]- 328.15542 202.0
[M+Na-2H]- 290.11624 167.2
[M]+ 269.14102 164.2
[M]- 269.14212 164.2
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.