CID 42283

8-diethylaminomethyl dihydroquercetin, hydrochloride

Structural Information

Molecular Formula
C20H23NO7
SMILES
CCN(CC)CC1=C2C(=C(C=C1O)O)C(=O)C(C(O2)C3=CC(=C(C=C3)O)O)O
InChI
InChI=1S/C20H23NO7/c1-3-21(4-2)9-11-13(23)8-15(25)16-17(26)18(27)19(28-20(11)16)10-5-6-12(22)14(24)7-10/h5-8,18-19,22-25,27H,3-4,9H2,1-2H3
InChIKey
OMXIOXJISDJZFU-UHFFFAOYSA-N
Compound name
8-(diethylaminomethyl)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.14746 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.15474 191.1
[M+Na]+ 412.13668 197.8
[M-H]- 388.14018 194.8
[M+NH4]+ 407.18128 199.7
[M+K]+ 428.11062 195.7
[M+H-H2O]+ 372.14472 183.3
[M+HCOO]- 434.14566 204.3
[M+CH3COO]- 448.16131 221.1
[M+Na-2H]- 410.12213 190.4
[M]+ 389.14691 193.0
[M]- 389.14801 193.0
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.