CID 383147

Nsc671188

Structural Information

Molecular Formula
C16H17NO3
SMILES
C1=CC=C(C=C1)CC(=O)NCCC2=CC(=C(C=C2)O)O
InChI
InChI=1S/C16H17NO3/c18-14-7-6-13(10-15(14)19)8-9-17-16(20)11-12-4-2-1-3-5-12/h1-7,10,18-19H,8-9,11H2,(H,17,20)
InChIKey
GGGICHWZMLXHLJ-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.12085 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12813 162.2
[M+Na]+ 294.11007 167.9
[M-H]- 270.11357 166.2
[M+NH4]+ 289.15467 176.6
[M+K]+ 310.08401 163.4
[M+H-H2O]+ 254.11811 154.6
[M+HCOO]- 316.11905 183.7
[M+CH3COO]- 330.13470 195.9
[M+Na-2H]- 292.09552 166.0
[M]+ 271.12030 161.2
[M]- 271.12140 161.2
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

No patent data available for this compound.