CID 6448420

2-(3,4-dihydroxyphenyl)-1-(4-tolyl)ethylamine maleate

Structural Information

Molecular Formula
C19H19NO5
SMILES
CC1=CC=C(C=C1)C(CC2=CC(=C(C=C2)OC(=O)/C=C/C(=O)O)O)N
InChI
InChI=1S/C19H19NO5/c1-12-2-5-14(6-3-12)15(20)10-13-4-7-17(16(21)11-13)25-19(24)9-8-18(22)23/h2-9,11,15,21H,10,20H2,1H3,(H,22,23)/b9-8+
InChIKey
URHHVEOFQSZTGU-CMDGGOBGSA-N
Compound name
(E)-4-[4-[2-amino-2-(4-methylphenyl)ethyl]-2-hydroxyphenoxy]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1263 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.13358 180.7
[M+Na]+ 364.11552 190.7
[M+NH4]+ 359.16012 185.0
[M+K]+ 380.08946 186.5
[M-H]- 340.11902 181.9
[M+Na-2H]- 362.10097 184.7
[M]+ 341.12575 182.0
[M]- 341.12685 182.0
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.