CID 54695471

Nsc647584

Structural Information

Molecular Formula
C24H25NO4
SMILES
C1CCN(C1)CCC(=O)CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O
InChI
InChI=1S/C24H25NO4/c26-18(12-15-25-13-6-7-14-25)16-20(17-8-2-1-3-9-17)22-23(27)19-10-4-5-11-21(19)29-24(22)28/h1-5,8-11,20,27H,6-7,12-16H2
InChIKey
VHJRIUZUBOUWSO-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(3-oxo-1-phenyl-5-pyrrolidin-1-ylpentyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.17834 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.18562 194.3
[M+Na]+ 414.16756 198.7
[M-H]- 390.17106 202.1
[M+NH4]+ 409.21216 203.9
[M+K]+ 430.14150 194.4
[M+H-H2O]+ 374.17560 184.7
[M+HCOO]- 436.17654 209.4
[M+CH3COO]- 450.19219 202.7
[M+Na-2H]- 412.15301 193.3
[M]+ 391.17779 194.1
[M]- 391.17889 194.1
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.