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]+ 240.10192 149.6
[M+Na]+ 262.08386 160.6
[M-H]- 238.08736 158.2
[M+NH4]+ 257.12846 168.9
[M+K]+ 278.05780 158.6
[M+H-H2O]+ 222.09190 142.3
[M+HCOO]- 284.09284 174.4
[M+CH3COO]- 298.10849 164.2
[M+Na-2H]- 260.06931 160.1
[M]+ 239.09409 155.0
[M]- 239.09519 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