CID 71198

Amikhelline hydrochloride

Structural Information

Molecular Formula
C18H21NO5
SMILES
CCN(CC)CCOC1=C2C(=C(C3=C1OC(=CC3=O)C)O)C=CO2
InChI
InChI=1S/C18H21NO5/c1-4-19(5-2)7-9-23-18-16-12(6-8-22-16)15(21)14-13(20)10-11(3)24-17(14)18/h6,8,10,21H,4-5,7,9H2,1-3H3
InChIKey
QZBPFSZZMYTRIA-UHFFFAOYSA-N
Compound name
9-[2-(diethylamino)ethoxy]-4-hydroxy-7-methylfuro[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

72
Patents

331.14197 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.14925 176.9
[M+Na]+ 354.13119 187.3
[M-H]- 330.13469 184.9
[M+NH4]+ 349.17579 192.6
[M+K]+ 370.10513 186.7
[M+H-H2O]+ 314.13923 170.3
[M+HCOO]- 376.14017 199.3
[M+CH3COO]- 390.15582 215.1
[M+Na-2H]- 352.11664 182.1
[M]+ 331.14142 188.0
[M]- 331.14252 188.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe