CID 3014196

3371-33-3

Structural Information

Molecular Formula
C17H19NO4
SMILES
CC(CC1=CC=C(C=C1)O)NCC(=O)C2=CC(=CC(=C2)O)O
InChI
InChI=1S/C17H19NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,18-21H,6,10H2,1H3
InChIKey
IFNGKZSCMSNIPZ-UHFFFAOYSA-N
Compound name
1-(3,5-dihydroxyphenyl)-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.1314 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.13868 171.2
[M+Na]+ 324.12062 182.1
[M+NH4]+ 319.16522 176.9
[M+K]+ 340.09456 177.3
[M-H]- 300.12412 173.4
[M+Na-2H]- 322.10607 176.6
[M]+ 301.13085 173.1
[M]- 301.13195 173.1
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.