CID 5745493

K 9805

Structural Information

Molecular Formula
C17H17NO3
SMILES
CCN(CC)C1=CC(=O)C2=C(O1)C=CC3=C2C=C(C=C3)O
InChI
InChI=1S/C17H17NO3/c1-3-18(4-2)16-10-14(20)17-13-9-12(19)7-5-11(13)6-8-15(17)21-16/h5-10,19H,3-4H2,1-2H3
InChIKey
FKUXZGBBXUUBKI-UHFFFAOYSA-N
Compound name
3-(diethylamino)-9-hydroxybenzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

283.12085 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12813 163.0
[M+Na]+ 306.11007 173.4
[M-H]- 282.11357 170.1
[M+NH4]+ 301.15467 179.9
[M+K]+ 322.08401 170.7
[M+H-H2O]+ 266.11811 155.4
[M+HCOO]- 328.11905 185.6
[M+CH3COO]- 342.13470 206.4
[M+Na-2H]- 304.09552 171.3
[M]+ 283.12030 169.0
[M]- 283.12140 169.0
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