CID 44257173

4'-hydroxy-4-(4-hydroxystyryl)-7-methoxyflavan

Structural Information

Molecular Formula
C24H22O4
SMILES
COC1=CC2=C(C=C1)[C@H](C[C@@H](O2)C3=CC=C(C=C3)O)/C=C/C4=CC=C(C=C4)O
InChI
InChI=1S/C24H22O4/c1-27-21-12-13-22-18(5-2-16-3-8-19(25)9-4-16)14-23(28-24(22)15-21)17-6-10-20(26)11-7-17/h2-13,15,18,23,25-26H,14H2,1H3/b5-2+/t18-,23+/m0/s1
InChIKey
RDUYMQQGTUMXQZ-FBHACNSLSA-N
Compound name
4-[(E)-2-[(2R,4R)-2-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]ethenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1518 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.15908 190.8
[M+Na]+ 397.14102 197.3
[M-H]- 373.14452 199.1
[M+NH4]+ 392.18562 200.8
[M+K]+ 413.11496 192.1
[M+H-H2O]+ 357.14906 181.0
[M+HCOO]- 419.15000 206.6
[M+CH3COO]- 433.16565 199.9
[M+Na-2H]- 395.12647 193.1
[M]+ 374.15125 190.1
[M]- 374.15235 190.1
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.