CID 215242

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

Structural Information

Molecular Formula
C17H15NO2
SMILES
C1CCN(C1)C2=CC(=O)C3=C(O2)C=CC4=CC=CC=C43
InChI
InChI=1S/C17H15NO2/c19-14-11-16(18-9-3-4-10-18)20-15-8-7-12-5-1-2-6-13(12)17(14)15/h1-2,5-8,11H,3-4,9-10H2
InChIKey
UJKBOTZAAHYQDF-UHFFFAOYSA-N
Compound name
3-pyrrolidin-1-ylbenzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

265.1103 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11758 157.3
[M+Na]+ 288.09952 167.4
[M-H]- 264.10302 165.6
[M+NH4]+ 283.14412 175.0
[M+K]+ 304.07346 163.1
[M+H-H2O]+ 248.10756 149.3
[M+HCOO]- 310.10850 177.9
[M+CH3COO]- 324.12415 170.4
[M+Na-2H]- 286.08497 164.1
[M]+ 265.10975 158.6
[M]- 265.11085 158.6
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

patents stripe