CID 58384

101468-21-7

Structural Information

Molecular Formula
C19H23NO5
SMILES
CCN(CC)CC(CC1=C2C(=C(C3=C1OC=CC3=O)O)C=C(O2)C)O
InChI
InChI=1S/C19H23NO5/c1-4-20(5-2)10-12(21)9-14-18-13(8-11(3)25-18)17(23)16-15(22)6-7-24-19(14)16/h6-8,12,21,23H,4-5,9-10H2,1-3H3
InChIKey
VUMYPOHKOWLFPN-UHFFFAOYSA-N
Compound name
9-[3-(diethylamino)-2-hydroxypropyl]-4-hydroxy-2-methylfuro[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.15762 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.16490 180.8
[M+Na]+ 368.14684 193.2
[M+NH4]+ 363.19144 187.1
[M+K]+ 384.12078 190.2
[M-H]- 344.15034 185.0
[M+Na-2H]- 366.13229 182.5
[M]+ 345.15707 183.7
[M]- 345.15817 183.7
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.