CID 54695439

Nsc368257

Structural Information

Molecular Formula
C21H19NO6
SMILES
C1COCCN1C(C2=CC3=C(C=C2)OCO3)C4=C(C5=CC=CC=C5OC4=O)O
InChI
InChI=1S/C21H19NO6/c23-20-14-3-1-2-4-15(14)28-21(24)18(20)19(22-7-9-25-10-8-22)13-5-6-16-17(11-13)27-12-26-16/h1-6,11,19,23H,7-10,12H2
InChIKey
UEYAWUCPCRXQJE-UHFFFAOYSA-N
Compound name
3-[1,3-benzodioxol-5-yl(morpholin-4-yl)methyl]-4-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.12125 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.12853 186.0
[M+Na]+ 404.11047 192.4
[M-H]- 380.11397 197.0
[M+NH4]+ 399.15507 193.1
[M+K]+ 420.08441 192.9
[M+H-H2O]+ 364.11851 177.4
[M+HCOO]- 426.11945 197.1
[M+CH3COO]- 440.13510 195.6
[M+Na-2H]- 402.09592 189.0
[M]+ 381.12070 187.3
[M]- 381.12180 187.3
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.