CID 10712965

Pongachalcone ii

Structural Information

Molecular Formula
C21H20O5
SMILES
CC1(C=CC2=C(O1)C=CC(=C2O)C(=O)/C=C/C3=CC(=C(C=C3)O)OC)C
InChI
InChI=1S/C21H20O5/c1-21(2)11-10-15-18(26-21)9-6-14(20(15)24)16(22)7-4-13-5-8-17(23)19(12-13)25-3/h4-12,23-24H,1-3H3/b7-4+
InChIKey
WNUBZQVPFKTBOZ-QPJJXVBHSA-N
Compound name
(E)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

352.13107 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13835 182.6
[M+Na]+ 375.12029 191.2
[M-H]- 351.12379 188.9
[M+NH4]+ 370.16489 196.3
[M+K]+ 391.09423 187.9
[M+H-H2O]+ 335.12833 175.1
[M+HCOO]- 397.12927 199.2
[M+CH3COO]- 411.14492 211.2
[M+Na-2H]- 373.10574 185.7
[M]+ 352.13052 185.9
[M]- 352.13162 185.9
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

patents stripe