CID 3053491

Pyrocatechol, 4-(2-(phenethylamino)ethyl)-, diacetate, hydrobromide

Structural Information

Molecular Formula
C20H23NO4
SMILES
CC(=O)OC1=C(C=C(C=C1)CCNCCC2=CC=CC=C2)OC(=O)C
InChI
InChI=1S/C20H23NO4/c1-15(22)24-19-9-8-18(14-20(19)25-16(2)23)11-13-21-12-10-17-6-4-3-5-7-17/h3-9,14,21H,10-13H2,1-2H3
InChIKey
WJXXHJUXSLENMO-UHFFFAOYSA-N
Compound name
[2-acetyloxy-4-[2-(2-phenylethylamino)ethyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.16272 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17000 182.7
[M+Na]+ 364.15194 194.4
[M+NH4]+ 359.19654 188.7
[M+K]+ 380.12588 187.5
[M-H]- 340.15544 186.0
[M+Na-2H]- 362.13739 189.3
[M]+ 341.16217 185.1
[M]- 341.16327 185.1
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.