CID 49682

8-(dimethylaminomethyl)-7-isopropoxy-3-methylflavone hydrochloride

Structural Information

Molecular Formula

C₂₂H₂₅NO₃

SMILES

CC1=C(OC2=C(C1=O)C=CC(=C2CN(C)C)OC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO3/c1-14(2)25-19-12-11-17-20(24)15(3)21(16-9-7-6-8-10-16)26-22(17)18(19)13-23(4)5/h6-12,14H,13H2,1-5H3

InChIKey

OFWUUCSNUGQCFE-UHFFFAOYSA-N

Compound name

8-[(dimethylamino)methyl]-3-methyl-2-phenyl-7-propan-2-yloxychromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 351.18344 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	352.190716	186.4
[M+Na]+	374.172658	194.5
[M-H]-	350.176164	196.4
[M+NH4]+	369.217263	199.9
[M+K]+	390.146598	192.5
[M+H-H2O]+	334.180700	177.1
[M+HCOO]-	396.181641	207.9
[M+CH3COO]-	410.197291	224.3
[M+Na-2H]-	372.158106	188.7
[M]+	351.18289142	192.9
[M]-	351.18398858	192.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.