CID 92565

71786-67-9

Structural Information

Molecular Formula
C16H17NO2
SMILES
CN(CC1=CC=CC=C1)CC(=O)C2=CC(=CC=C2)O
InChI
InChI=1S/C16H17NO2/c1-17(11-13-6-3-2-4-7-13)12-16(19)14-8-5-9-15(18)10-14/h2-10,18H,11-12H2,1H3
InChIKey
DWMWFFWZJCCKCS-UHFFFAOYSA-N
Compound name
2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

38
Patents

255.12593 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13321 158.9
[M+Na]+ 278.11515 164.3
[M-H]- 254.11865 165.3
[M+NH4]+ 273.15975 175.0
[M+K]+ 294.08909 161.4
[M+H-H2O]+ 238.12319 150.9
[M+HCOO]- 300.12413 182.3
[M+CH3COO]- 314.13978 199.0
[M+Na-2H]- 276.10060 163.1
[M]+ 255.12538 159.3
[M]- 255.12648 159.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe