CID 3439782

171008-95-0

Structural Information

Molecular Formula
C23H25NO5
SMILES
CCC1=CC2=C(C(=C1O)CN(C)C)OC(=C(C2=O)C3=CC4=C(C=C3)OCCO4)C
InChI
InChI=1S/C23H25NO5/c1-5-14-10-16-22(26)20(15-6-7-18-19(11-15)28-9-8-27-18)13(2)29-23(16)17(21(14)25)12-24(3)4/h6-7,10-11,25H,5,8-9,12H2,1-4H3
InChIKey
HZPUUACPCDVOAH-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-2-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.17328 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.18056 199.8
[M+Na]+ 418.16250 208.4
[M-H]- 394.16600 210.6
[M+NH4]+ 413.20710 209.1
[M+K]+ 434.13644 208.2
[M+H-H2O]+ 378.17054 190.1
[M+HCOO]- 440.17148 215.4
[M+CH3COO]- 454.18713 230.7
[M+Na-2H]- 416.14795 203.0
[M]+ 395.17273 206.1
[M]- 395.17383 206.1
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.