CID 41350

Dtxsid10970508

Structural Information

Molecular Formula
C17H19NO6
SMILES
CCNCC(COC1=C2C(=C(C3=C1OC=CC3=O)O)C=C(O2)C)O
InChI
InChI=1S/C17H19NO6/c1-3-18-7-10(19)8-23-17-15-11(6-9(2)24-15)14(21)13-12(20)4-5-22-16(13)17/h4-6,10,18-19,21H,3,7-8H2,1-2H3
InChIKey
ICSHRFMMYSNXPO-UHFFFAOYSA-N
Compound name
9-[3-(ethylamino)-2-hydroxypropoxy]-4-hydroxy-2-methylfuro[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.12125 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.128526 174.8
[M+Na]+ 356.110468 184.4
[M-H]- 332.113974 180.1
[M+NH4]+ 351.155073 188.8
[M+K]+ 372.084408 183.2
[M+H-H2O]+ 316.118510 168.6
[M+HCOO]- 378.119451 194.6
[M+CH3COO]- 392.135101 210.1
[M+Na-2H]- 354.095916 180.0
[M]+ 333.12070142 183.4
[M]- 333.12179858 183.4
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.