CID 15954242

6-[1-(2-hydroxy-ethylamino)-propyl]-5-methoxy-2,2-dimethyl-10-propyl-2h-pyrano[2,3-f]chromen-8-one

Structural Information

Molecular Formula
C23H31NO5
SMILES
CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C(=C2C(CC)NCCO)OC
InChI
InChI=1S/C23H31NO5/c1-6-8-14-13-17(26)28-22-18(14)21-15(9-10-23(3,4)29-21)20(27-5)19(22)16(7-2)24-11-12-25/h9-10,13,16,24-25H,6-8,11-12H2,1-5H3
InChIKey
YWUIGNNQMCUOIN-UHFFFAOYSA-N
Compound name
6-[1-(2-hydroxyethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

401.2202 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.22748 200.0
[M+Na]+ 424.20942 207.7
[M-H]- 400.21292 205.3
[M+NH4]+ 419.25402 212.1
[M+K]+ 440.18336 206.2
[M+H-H2O]+ 384.21746 191.9
[M+HCOO]- 446.21840 215.2
[M+CH3COO]- 460.23405 229.5
[M+Na-2H]- 422.19487 203.4
[M]+ 401.21965 208.0
[M]- 401.22075 208.0
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

No patent data available for this compound.