CID 5361814

8-(dimethylaminomethyl)-7-hydroxy-2-methylisoflavone hydrochloride

Structural Information

Molecular Formula
C19H19NO3
SMILES
CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN(C)C)C3=CC=CC=C3
InChI
InChI=1S/C19H19NO3/c1-12-17(13-7-5-4-6-8-13)18(22)14-9-10-16(21)15(11-20(2)3)19(14)23-12/h4-10,21H,11H2,1-3H3
InChIKey
IVBPMCTZBKREST-UHFFFAOYSA-N
Compound name
8-[(dimethylamino)methyl]-7-hydroxy-2-methyl-3-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

309.1365 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.14378 171.9
[M+Na]+ 332.12572 188.1
[M+NH4]+ 327.17032 180.3
[M+K]+ 348.09966 180.5
[M-H]- 308.12922 179.1
[M+Na-2H]- 330.11117 180.0
[M]+ 309.13595 176.5
[M]- 309.13705 176.5
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

patents stripe