CID 3033107

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

Structural Information

Molecular Formula
C23H27NO4
SMILES
CC1=C(OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)OCC(CNC(C)(C)C)O
InChI
InChI=1S/C23H27NO4/c1-15-21(26)19-7-5-6-8-20(19)28-22(15)16-9-11-18(12-10-16)27-14-17(25)13-24-23(2,3)4/h5-12,17,24-25H,13-14H2,1-4H3
InChIKey
IURAAQXYILAPPL-UHFFFAOYSA-N
Compound name
2-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.194 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.20128 193.5
[M+Na]+ 404.18322 207.0
[M+NH4]+ 399.22782 200.0
[M+K]+ 420.15716 200.4
[M-H]- 380.18672 198.8
[M+Na-2H]- 402.16867 199.6
[M]+ 381.19345 197.0
[M]- 381.19455 197.0
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.