CID 57111

96577-66-1

Structural Information

Molecular Formula
C21H27NO6
SMILES
CCN(CC)C(COCC)COC1=C2C(=C(C3=C1OC=CC3=O)O)C=C(O2)C
InChI
InChI=1S/C21H27NO6/c1-5-22(6-2)14(11-25-7-3)12-27-21-19-15(10-13(4)28-19)18(24)17-16(23)8-9-26-20(17)21/h8-10,14,24H,5-7,11-12H2,1-4H3
InChIKey
OFELEDIBBXPFRM-UHFFFAOYSA-N
Compound name
9-[2-(diethylamino)-3-ethoxypropoxy]-4-hydroxy-2-methylfuro[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.18384 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.19112 194.5
[M+Na]+ 412.17306 202.8
[M-H]- 388.17656 201.9
[M+NH4]+ 407.21766 207.4
[M+K]+ 428.14700 202.9
[M+H-H2O]+ 372.18110 187.2
[M+HCOO]- 434.18204 214.9
[M+CH3COO]- 448.19769 227.1
[M+Na-2H]- 410.15851 197.1
[M]+ 389.18329 207.3
[M]- 389.18439 207.3
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.