CID 37845

37855-81-5

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
1
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]+ 348.14418 179.7
[M+Na]+ 370.12612 191.3
[M+NH4]+ 365.17072 185.3
[M+K]+ 386.10006 189.4
[M-H]- 346.12962 183.0
[M+Na-2H]- 368.11157 180.7
[M]+ 347.13635 182.1
[M]- 347.13745 182.1
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.