CID 5361231

8-dimethylaminomethylquercetin, hydrochloride

Structural Information

Molecular Formula
C18H17NO7
SMILES
CN(C)CC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O
InChI
InChI=1S/C18H17NO7/c1-19(2)7-9-11(21)6-13(23)14-15(24)16(25)17(26-18(9)14)8-3-4-10(20)12(22)5-8/h3-6,20-23,25H,7H2,1-2H3
InChIKey
KJKNENNQBAQBIO-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-8-[(dimethylamino)methyl]-3,5,7-trihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.1005 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.10778 181.2
[M+Na]+ 382.08972 190.7
[M-H]- 358.09322 186.1
[M+NH4]+ 377.13432 191.2
[M+K]+ 398.06366 188.7
[M+H-H2O]+ 342.09776 173.4
[M+HCOO]- 404.09870 197.9
[M+CH3COO]- 418.11435 214.5
[M+Na-2H]- 380.07517 183.1
[M]+ 359.09995 185.2
[M]- 359.10105 185.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.