CID 37845

Dtxsid40958899

Structural Information

Molecular Formula
C18H21NO6
SMILES
CC1=CC2=C(C3=C(C(=C2O1)OCC(CNC(C)C)O)OC=CC3=O)O
InChI
InChI=1S/C18H21NO6/c1-9(2)19-7-11(20)8-24-18-16-12(6-10(3)25-16)15(22)14-13(21)4-5-23-17(14)18/h4-6,9,11,19-20,22H,7-8H2,1-3H3
InChIKey
DQOVYORBYZSHCG-UHFFFAOYSA-N
Compound name
4-hydroxy-9-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-methylfuro[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

347.1369 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.144176 180.3
[M+Na]+ 370.126118 189.0
[M-H]- 346.129624 185.5
[M+NH4]+ 365.170723 193.6
[M+K]+ 386.100058 188.3
[M+H-H2O]+ 330.134160 174.1
[M+HCOO]- 392.135101 198.7
[M+CH3COO]- 406.150751 214.0
[M+Na-2H]- 368.111566 183.7
[M]+ 347.13635142 188.6
[M]- 347.13744858 188.6
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.