CID 24971168

Chembl497611

Structural Information

Molecular Formula
C23H27NO5
SMILES
CCCN(CCC)CCOC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C23H27NO5/c1-3-9-24(10-4-2)11-12-28-18-13-20(26)22-21(14-18)29-15-19(23(22)27)16-5-7-17(25)8-6-16/h5-8,13-15,25-26H,3-4,9-12H2,1-2H3
InChIKey
HMVMJQBTONNRKO-UHFFFAOYSA-N
Compound name
7-[2-(dipropylamino)ethoxy]-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

397.18893 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.19621 197.2
[M+Na]+ 420.17815 203.7
[M-H]- 396.18165 204.1
[M+NH4]+ 415.22275 207.1
[M+K]+ 436.15209 200.9
[M+H-H2O]+ 380.18619 187.5
[M+HCOO]- 442.18713 216.6
[M+CH3COO]- 456.20278 226.1
[M+Na-2H]- 418.16360 199.5
[M]+ 397.18838 203.8
[M]- 397.18948 203.8
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.