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 144.4
[M+Na]+ 248.06820 155.9
[M-H]- 224.07170 151.8
[M+NH4]+ 243.11280 163.7
[M+K]+ 264.04214 152.6
[M+H-H2O]+ 208.07624 137.6
[M+HCOO]- 270.07718 169.1
[M+CH3COO]- 284.09283 159.0
[M+Na-2H]- 246.05365 156.4
[M]+ 225.07843 148.3
[M]- 225.07953 148.3
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