CID 3075480

8-dimethylaminomethyl pinocembrin

Structural Information

Molecular Formula
C18H19NO4
SMILES
CN(C)CC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=CC=CC=C3
InChI
InChI=1S/C18H19NO4/c1-19(2)10-12-13(20)8-14(21)17-15(22)9-16(23-18(12)17)11-6-4-3-5-7-11/h3-8,16,20-21H,9-10H2,1-2H3/t16-/m0/s1
InChIKey
FUDHKVXYYNBYHN-INIZCTEOSA-N
Compound name
(2S)-8-[(dimethylamino)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1314 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.138676 172.3
[M+Na]+ 336.120618 179.5
[M-H]- 312.124124 179.5
[M+NH4]+ 331.165223 185.8
[M+K]+ 352.094558 177.2
[M+H-H2O]+ 296.128660 164.3
[M+HCOO]- 358.129601 190.6
[M+CH3COO]- 372.145251 209.8
[M+Na-2H]- 334.106066 175.5
[M]+ 313.13085142 173.2
[M]- 313.13194858 173.2
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.