CID 49680

8-(dimethylamino)methyl-7-hydroxyflavone hydrochloride

Structural Information

Molecular Formula
C18H17NO3
SMILES
CN(C)CC1=C(C=CC2=C1OC(=CC2=O)C3=CC=CC=C3)O
InChI
InChI=1S/C18H17NO3/c1-19(2)11-14-15(20)9-8-13-16(21)10-17(22-18(13)14)12-6-4-3-5-7-12/h3-10,20H,11H2,1-2H3
InChIKey
CTTNILKNJDAMIA-UHFFFAOYSA-N
Compound name
8-[(dimethylamino)methyl]-7-hydroxy-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.12085 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.128126 167.6
[M+Na]+ 318.110068 176.6
[M-H]- 294.113574 176.7
[M+NH4]+ 313.154673 182.6
[M+K]+ 334.084008 174.0
[M+H-H2O]+ 278.118110 159.2
[M+HCOO]- 340.119051 190.2
[M+CH3COO]- 354.134701 207.9
[M+Na-2H]- 316.095516 173.7
[M]+ 295.12030142 171.2
[M]- 295.12139858 171.2
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.