CID 54677844

Nsc373950

Structural Information

Molecular Formula
C23H25NO6
SMILES
COC1=CC(=CC(=C1OC)OC)C(C2=C(C3=CC=CC=C3OC2=O)O)N4CCCC4
InChI
InChI=1S/C23H25NO6/c1-27-17-12-14(13-18(28-2)22(17)29-3)20(24-10-6-7-11-24)19-21(25)15-8-4-5-9-16(15)30-23(19)26/h4-5,8-9,12-13,20,25H,6-7,10-11H2,1-3H3
InChIKey
XQYQKPOXYGXFIH-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[pyrrolidin-1-yl-(3,4,5-trimethoxyphenyl)methyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.16818 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.17546 196.7
[M+Na]+ 434.15740 203.7
[M-H]- 410.16090 205.9
[M+NH4]+ 429.20200 206.4
[M+K]+ 450.13134 201.5
[M+H-H2O]+ 394.16544 187.3
[M+HCOO]- 456.16638 213.2
[M+CH3COO]- 470.18203 223.7
[M+Na-2H]- 432.14285 195.8
[M]+ 411.16763 201.7
[M]- 411.16873 201.7
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.