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 183.1
[M+Na]+ 370.14135 187.3
[M-H]- 346.14485 190.9
[M+NH4]+ 365.18595 194.2
[M+K]+ 386.11529 182.5
[M+H-H2O]+ 330.14939 173.4
[M+HCOO]- 392.15033 204.2
[M+CH3COO]- 406.16598 213.9
[M+Na-2H]- 368.12680 185.5
[M]+ 347.15158 182.7
[M]- 347.15268 182.7
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