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]+ 296.128126 167.9
[M+Na]+ 318.110068 177.7
[M-H]- 294.113574 175.9
[M+NH4]+ 313.154673 182.6
[M+K]+ 334.084008 173.7
[M+H-H2O]+ 278.118110 159.9
[M+HCOO]- 340.119051 190.0
[M+CH3COO]- 354.134701 205.9
[M+Na-2H]- 316.095516 174.0
[M]+ 295.12030142 170.8
[M]- 295.12139858 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.