CID 24971214

Chembl497175

Structural Information

Molecular Formula
C24H29NO5
SMILES
CCCN(CCC)CCCOC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C24H29NO5/c1-3-10-25(11-4-2)12-5-13-29-19-14-21(27)23-22(15-19)30-16-20(24(23)28)17-6-8-18(26)9-7-17/h6-9,14-16,26-27H,3-5,10-13H2,1-2H3
InChIKey
KIKKWAVFTRJNKI-UHFFFAOYSA-N
Compound name
7-[3-(dipropylamino)propoxy]-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

411.20456 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.21184 201.8
[M+Na]+ 434.19378 207.8
[M-H]- 410.19728 208.4
[M+NH4]+ 429.23838 211.1
[M+K]+ 450.16772 204.8
[M+H-H2O]+ 394.20182 191.9
[M+HCOO]- 456.20276 220.8
[M+CH3COO]- 470.21841 229.0
[M+Na-2H]- 432.17923 203.6
[M]+ 411.20401 208.7
[M]- 411.20511 208.7
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.