CID 3068771

6-benzyl-2-(diethylamino)chromone

Structural Information

Molecular Formula
C20H21NO2
SMILES
CCN(CC)C1=CC(=O)C2=C(O1)C=CC(=C2)CC3=CC=CC=C3
InChI
InChI=1S/C20H21NO2/c1-3-21(4-2)20-14-18(22)17-13-16(10-11-19(17)23-20)12-15-8-6-5-7-9-15/h5-11,13-14H,3-4,12H2,1-2H3
InChIKey
HJQZIMJAFNWLEQ-UHFFFAOYSA-N
Compound name
6-benzyl-2-(diethylamino)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.15723 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.164506 173.7
[M+Na]+ 330.146448 181.4
[M-H]- 306.149954 183.2
[M+NH4]+ 325.191053 188.6
[M+K]+ 346.120388 178.4
[M+H-H2O]+ 290.154490 164.6
[M+HCOO]- 352.155431 196.8
[M+CH3COO]- 366.171081 212.8
[M+Na-2H]- 328.131896 179.6
[M]+ 307.15668142 177.8
[M]- 307.15777858 177.8
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.