CID 3054620

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

Structural Information

Molecular Formula
C19H13NO2
SMILES
C1=CC=C(C=C1)NC2=CC(=O)C3=C(O2)C=CC4=CC=CC=C43
InChI
InChI=1S/C19H13NO2/c21-16-12-18(20-14-7-2-1-3-8-14)22-17-11-10-13-6-4-5-9-15(13)19(16)17/h1-12,20H
InChIKey
BFBRNNZMIHNLOU-UHFFFAOYSA-N
Compound name
3-anilinobenzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.09464 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.10192 163.8
[M+Na]+ 310.08386 183.1
[M+NH4]+ 305.12846 174.3
[M+K]+ 326.05780 172.8
[M-H]- 286.08736 173.0
[M+Na-2H]- 308.06931 175.4
[M]+ 287.09409 169.6
[M]- 287.09519 169.6
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

No patent data available for this compound.