CID 59273

4h-naphtho(2,3-b)pyran-4-one, 2-diethylamino-

Structural Information

Molecular Formula
C17H17NO2
SMILES
CCN(CC)C1=CC(=O)C2=CC3=CC=CC=C3C=C2O1
InChI
InChI=1S/C17H17NO2/c1-3-18(4-2)17-11-15(19)14-9-12-7-5-6-8-13(12)10-16(14)20-17/h5-11H,3-4H2,1-2H3
InChIKey
JUOXQLOLOBLRJM-UHFFFAOYSA-N
Compound name
2-(diethylamino)benzo[g]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.12592 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13320 159.5
[M+Na]+ 290.11514 169.5
[M-H]- 266.11864 167.6
[M+NH4]+ 285.15974 177.5
[M+K]+ 306.08908 167.0
[M+H-H2O]+ 250.12318 151.6
[M+HCOO]- 312.12412 183.5
[M+CH3COO]- 326.13977 173.1
[M+Na-2H]- 288.10059 168.8
[M]+ 267.12537 165.4
[M]- 267.12647 165.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.