CID 41350

55165-34-9

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]+ 334.12853 174.8
[M+Na]+ 356.11047 184.4
[M-H]- 332.11397 180.1
[M+NH4]+ 351.15507 188.8
[M+K]+ 372.08441 183.2
[M+H-H2O]+ 316.11851 168.6
[M+HCOO]- 378.11945 194.6
[M+CH3COO]- 392.13510 210.1
[M+Na-2H]- 354.09592 180.0
[M]+ 333.12070 183.4
[M]- 333.12180 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.