CID 3044965

Brn 1648723

Structural Information

Molecular Formula
C19H21NO2
SMILES
CCN(CC)C1=CC(=O)C2=C(O1)C=CC3=C2C=C(C(=C3)C)C
InChI
InChI=1S/C19H21NO2/c1-5-20(6-2)18-11-16(21)19-15-10-13(4)12(3)9-14(15)7-8-17(19)22-18/h7-11H,5-6H2,1-4H3
InChIKey
GZMHCKYUJVVURL-UHFFFAOYSA-N
Compound name
3-(diethylamino)-8,9-dimethylbenzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

295.15723 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16451 169.4
[M+Na]+ 318.14645 180.3
[M-H]- 294.14995 177.9
[M+NH4]+ 313.19105 186.9
[M+K]+ 334.12039 177.5
[M+H-H2O]+ 278.15449 161.5
[M+HCOO]- 340.15543 192.6
[M+CH3COO]- 354.17108 213.9
[M+Na-2H]- 316.13190 176.1
[M]+ 295.15668 176.8
[M]- 295.15778 176.8
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

patents stripe