CID 13080799

13062-58-3

Structural Information

Molecular Formula
C22H21NO3
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC(=O)C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C22H21NO3/c24-20-12-11-19(13-21(20)25)22(26)16-23(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18/h1-13,24-25H,14-16H2
InChIKey
BPZKRRFHEZSIFP-UHFFFAOYSA-N
Compound name
2-(dibenzylamino)-1-(3,4-dihydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

347.15213 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.15941 185.1
[M+Na]+ 370.14135 199.1
[M+NH4]+ 365.18595 192.4
[M+K]+ 386.11529 191.1
[M-H]- 346.14485 191.5
[M+Na-2H]- 368.12680 195.2
[M]+ 347.15158 188.9
[M]- 347.15268 188.9
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

patents stripe