CID 3075481

8-diethylaminoethyl pinocembrin

Structural Information

Molecular Formula
C21H25NO4
SMILES
CCN(CC)CCC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=CC=CC=C3
InChI
InChI=1S/C21H25NO4/c1-3-22(4-2)11-10-15-16(23)12-17(24)20-18(25)13-19(26-21(15)20)14-8-6-5-7-9-14/h5-9,12,19,23-24H,3-4,10-11,13H2,1-2H3/t19-/m0/s1
InChIKey
IUGHRWRPBJSPNC-IBGZPJMESA-N
Compound name
(2S)-8-[2-(diethylamino)ethyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.17834 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.18562 186.2
[M+Na]+ 378.16756 192.0
[M-H]- 354.17106 192.8
[M+NH4]+ 373.21216 197.9
[M+K]+ 394.14150 189.1
[M+H-H2O]+ 338.17560 177.6
[M+HCOO]- 400.17654 203.4
[M+CH3COO]- 414.19219 218.7
[M+Na-2H]- 376.15301 187.8
[M]+ 355.17779 188.0
[M]- 355.17889 188.0
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.