CID 736189

Q51617509

Structural Information

Molecular Formula
C17H19NO3
SMILES
CN(CC1=CC=CC=C1)CC(=O)C2=CC(=C(C=C2)O)OC
InChI
InChI=1S/C17H19NO3/c1-18(11-13-6-4-3-5-7-13)12-16(20)14-8-9-15(19)17(10-14)21-2/h3-10,19H,11-12H2,1-2H3
InChIKey
SGIFMPHIHTVTQJ-UHFFFAOYSA-N
Compound name
2-[benzyl(methyl)amino]-1-(4-hydroxy-3-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

285.1365 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14378 166.9
[M+Na]+ 308.12572 179.7
[M+NH4]+ 303.17032 174.3
[M+K]+ 324.09966 173.1
[M-H]- 284.12922 171.2
[M+Na-2H]- 306.11117 175.0
[M]+ 285.13595 169.9
[M]- 285.13705 169.9
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.