CID 41450

4'-(3-(tert-butylamino)-2-hydroxypropoxy)flavone

Structural Information

Molecular Formula
C22H25NO4
SMILES
CC(C)(C)NCC(COC1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2)O
InChI
InChI=1S/C22H25NO4/c1-22(2,3)23-13-16(24)14-26-17-10-8-15(9-11-17)21-12-19(25)18-6-4-5-7-20(18)27-21/h4-12,16,23-24H,13-14H2,1-3H3
InChIKey
CHWRJTDXQNPRBQ-UHFFFAOYSA-N
Compound name
2-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.17834 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.18562 188.9
[M+Na]+ 390.16756 202.3
[M+NH4]+ 385.21216 195.6
[M+K]+ 406.14150 195.7
[M-H]- 366.17106 194.1
[M+Na-2H]- 388.15301 195.5
[M]+ 367.17779 192.4
[M]- 367.17889 192.4
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.