CID 3054618

1h-naphtho(2,1-b)pyran-1-one, 3-(methylamino)-

Structural Information

Molecular Formula
C14H11NO2
SMILES
CNC1=CC(=O)C2=C(O1)C=CC3=CC=CC=C32
InChI
InChI=1S/C14H11NO2/c1-15-13-8-11(16)14-10-5-3-2-4-9(10)6-7-12(14)17-13/h2-8,15H,1H3
InChIKey
BRPRXHSBUHXHOX-UHFFFAOYSA-N
Compound name
3-(methylamino)benzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

225.07898 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08626 145.3
[M+Na]+ 248.06820 162.7
[M+NH4]+ 243.11280 155.5
[M+K]+ 264.04214 154.2
[M-H]- 224.07170 151.8
[M+Na-2H]- 246.05365 154.3
[M]+ 225.07843 149.9
[M]- 225.07953 149.9
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