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]+ 308.16451 173.7
[M+Na]+ 330.14645 181.4
[M-H]- 306.14995 183.2
[M+NH4]+ 325.19105 188.6
[M+K]+ 346.12039 178.4
[M+H-H2O]+ 290.15449 164.6
[M+HCOO]- 352.15543 196.8
[M+CH3COO]- 366.17108 212.8
[M+Na-2H]- 328.13190 179.6
[M]+ 307.15668 177.8
[M]- 307.15778 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.