CID 100378

4h-naphtho(1,2-b)pyran-4-one, 2-(dimethylamino)-

Structural Information

Molecular Formula
C15H13NO2
SMILES
CN(C)C1=CC(=O)C2=C(O1)C3=CC=CC=C3C=C2
InChI
InChI=1S/C15H13NO2/c1-16(2)14-9-13(17)12-8-7-10-5-3-4-6-11(10)15(12)18-14/h3-9H,1-2H3
InChIKey
NXOPTRFWHJTSOT-UHFFFAOYSA-N
Compound name
2-(dimethylamino)benzo[h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

239.09464 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.101916 149.6
[M+Na]+ 262.083858 160.6
[M-H]- 238.087364 158.2
[M+NH4]+ 257.128463 168.9
[M+K]+ 278.057798 158.6
[M+H-H2O]+ 222.091900 142.3
[M+HCOO]- 284.092841 174.4
[M+CH3COO]- 298.108491 164.2
[M+Na-2H]- 260.069306 160.1
[M]+ 239.09409142 155.0
[M]- 239.09518858 155.0
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