CID 41449

4'-(2-hydroxy-3-(isopropylamino)propoxy)flavone

Structural Information

Molecular Formula
C21H23NO4
SMILES
CC(C)NCC(COC1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2)O
InChI
InChI=1S/C21H23NO4/c1-14(2)22-12-16(23)13-25-17-9-7-15(8-10-17)21-11-19(24)18-5-3-4-6-20(18)26-21/h3-11,14,16,22-23H,12-13H2,1-2H3
InChIKey
AXDUMTIMPJKXRS-UHFFFAOYSA-N
Compound name
2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.16272 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17000 184.6
[M+Na]+ 376.15194 190.2
[M-H]- 352.15544 191.2
[M+NH4]+ 371.19654 195.8
[M+K]+ 392.12588 187.4
[M+H-H2O]+ 336.15998 175.6
[M+HCOO]- 398.16092 203.7
[M+CH3COO]- 412.17657 216.3
[M+Na-2H]- 374.13739 188.2
[M]+ 353.16217 187.8
[M]- 353.16327 187.8
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.