CID 362854

Nsc627258

Structural Information

Molecular Formula
C22H19NO3
SMILES
C1CCN(CC1)C2=C(C(=O)OC3=C2C=CC4=C3C=CO4)C5=CC=CC=C5
InChI
InChI=1S/C22H19NO3/c24-22-19(15-7-3-1-4-8-15)20(23-12-5-2-6-13-23)17-9-10-18-16(11-14-25-18)21(17)26-22/h1,3-4,7-11,14H,2,5-6,12-13H2
InChIKey
XIQSAVRUNYLUBQ-UHFFFAOYSA-N
Compound name
3-phenyl-4-piperidin-1-ylfuro[2,3-h]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.1365 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.14378 179.6
[M+Na]+ 368.12572 188.6
[M-H]- 344.12922 191.2
[M+NH4]+ 363.17032 192.0
[M+K]+ 384.09966 184.7
[M+H-H2O]+ 328.13376 169.9
[M+HCOO]- 390.13470 197.2
[M+CH3COO]- 404.15035 190.9
[M+Na-2H]- 366.11117 184.1
[M]+ 345.13595 180.6
[M]- 345.13705 180.6
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

No patent data available for this compound.