CID 49696

7-methoxy-3-methyl-8-(methylaminomethyl)flavone hydrochloride

Structural Information

Molecular Formula
C19H19NO3
SMILES
CC1=C(OC2=C(C1=O)C=CC(=C2CNC)OC)C3=CC=CC=C3
InChI
InChI=1S/C19H19NO3/c1-12-17(21)14-9-10-16(22-3)15(11-20-2)19(14)23-18(12)13-7-5-4-6-8-13/h4-10,20H,11H2,1-3H3
InChIKey
HHVYMOZEOSJOBR-UHFFFAOYSA-N
Compound name
7-methoxy-3-methyl-8-(methylaminomethyl)-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1365 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.14378 172.4
[M+Na]+ 332.12572 182.1
[M-H]- 308.12922 181.6
[M+NH4]+ 327.17032 187.2
[M+K]+ 348.09966 178.8
[M+H-H2O]+ 292.13376 163.8
[M+HCOO]- 354.13470 195.6
[M+CH3COO]- 368.15035 211.2
[M+Na-2H]- 330.11117 178.3
[M]+ 309.13595 177.4
[M]- 309.13705 177.4
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.