CID 5361795

7-hydroxy-3-methyl-8-(methylamino)methylflavone hydrochloride

Structural Information

Molecular Formula
C18H17NO3
SMILES
CC1=C(OC2=C(C1=O)C=CC(=C2CNC)O)C3=CC=CC=C3
InChI
InChI=1S/C18H17NO3/c1-11-16(21)13-8-9-15(20)14(10-19-2)18(13)22-17(11)12-6-4-3-5-7-12/h3-9,19-20H,10H2,1-2H3
InChIKey
VNGPLMSBEAOKPY-UHFFFAOYSA-N
Compound name
7-hydroxy-3-methyl-8-(methylaminomethyl)-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.12085 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12813 167.9
[M+Na]+ 318.11007 177.7
[M-H]- 294.11357 175.9
[M+NH4]+ 313.15467 182.6
[M+K]+ 334.08401 173.7
[M+H-H2O]+ 278.11811 159.9
[M+HCOO]- 340.11905 190.0
[M+CH3COO]- 354.13470 205.9
[M+Na-2H]- 316.09552 174.0
[M]+ 295.12030 170.8
[M]- 295.12140 170.8
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.