CID 3045696

4h-naphtho(1,2-b)pyran-4-one, 2-(1-pyrrolidinyl)-

Structural Information

Molecular Formula
C17H15NO2
SMILES
C1CCN(C1)C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3
InChI
InChI=1S/C17H15NO2/c19-15-11-16(18-9-3-4-10-18)20-17-13-6-2-1-5-12(13)7-8-14(15)17/h1-2,5-8,11H,3-4,9-10H2
InChIKey
CYNBNMZZLAYOIM-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylbenzo[h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
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

literature stripe

Patent stripe

patents stripe