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]+ 346.164896 182.5
[M+Na]+ 368.146838 191.6
[M-H]- 344.150344 189.0
[M+NH4]+ 363.191443 196.8
[M+K]+ 384.120778 190.6
[M+H-H2O]+ 328.154880 176.2
[M+HCOO]- 390.155821 202.0
[M+CH3COO]- 404.171471 216.8
[M+Na-2H]- 366.132286 185.6
[M]+ 345.15707142 191.5
[M]- 345.15816858 191.5
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.