CID 129224

Methylflavonolamine

Structural Information

Molecular Formula
C22H25NO4
SMILES
CC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OCC(CNC(C)C)O
InChI
InChI=1S/C22H25NO4/c1-14(2)23-12-17(24)13-26-18-8-9-19-20(25)11-21(27-22(19)10-18)16-6-4-15(3)5-7-16/h4-11,14,17,23-24H,12-13H2,1-3H3
InChIKey
RLYLBTHVPUJBPS-UHFFFAOYSA-N
Compound name
7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-(4-methylphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

0
Patents

367.17834 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.18562 189.6
[M+Na]+ 390.16756 195.7
[M-H]- 366.17106 196.4
[M+NH4]+ 385.21216 200.6
[M+K]+ 406.14150 192.8
[M+H-H2O]+ 350.17560 180.5
[M+HCOO]- 412.17654 208.3
[M+CH3COO]- 426.19219 220.6
[M+Na-2H]- 388.15301 191.9
[M]+ 367.17779 193.5
[M]- 367.17889 193.5
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.