CID 5361791

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

Structural Information

Molecular Formula
C19H19NO3
SMILES
CCC1=C(OC2=C(C1=O)C=CC(=C2CNC)O)C3=CC=CC=C3
InChI
InChI=1S/C19H19NO3/c1-3-13-17(22)14-9-10-16(21)15(11-20-2)19(14)23-18(13)12-7-5-4-6-8-12/h4-10,20-21H,3,11H2,1-2H3
InChIKey
ZJGNAPXBUNYTFJ-UHFFFAOYSA-N
Compound name
3-ethyl-7-hydroxy-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

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.14378 172.6
[M+Na]+ 332.12572 188.7
[M+NH4]+ 327.17032 180.8
[M+K]+ 348.09966 180.5
[M-H]- 308.12922 179.5
[M+Na-2H]- 330.11117 180.4
[M]+ 309.13595 177.0
[M]- 309.13705 177.0
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.