CID 3014196

1-(3,5-dihydroxyphenyl)-2-[[2-(4-hydroxyphenyl)-1-methylethyl]amino]ethan-1-one hydrobromide

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 169.8
[M+Na]+ 324.12062 174.9
[M-H]- 300.12412 172.5
[M+NH4]+ 319.16522 182.2
[M+K]+ 340.09456 170.8
[M+H-H2O]+ 284.12866 162.3
[M+HCOO]- 346.12960 188.5
[M+CH3COO]- 360.14525 201.8
[M+Na-2H]- 322.10607 170.7
[M]+ 301.13085 168.6
[M]- 301.13195 168.6
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.