CID 15230651

Glychalcone a

Structural Information

Molecular Formula
C22H22O5
SMILES
CC1(C=CC2=C(C(=C(C=C2O1)OC)C(=O)/C=C/C3=CC=C(C=C3)OC)O)C
InChI
InChI=1S/C22H22O5/c1-22(2)12-11-16-18(27-22)13-19(26-4)20(21(16)24)17(23)10-7-14-5-8-15(25-3)9-6-14/h5-13,24H,1-4H3/b10-7+
InChIKey
QPRYWSHCBHNFJL-JXMROGBWSA-N
Compound name
(E)-1-(5-hydroxy-7-methoxy-2,2-dimethylchromen-6-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

366.14673 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.15401 186.7
[M+Na]+ 389.13595 195.2
[M-H]- 365.13945 194.1
[M+NH4]+ 384.18055 200.4
[M+K]+ 405.10989 192.4
[M+H-H2O]+ 349.14399 178.5
[M+HCOO]- 411.14493 204.4
[M+CH3COO]- 425.16058 216.4
[M+Na-2H]- 387.12140 189.6
[M]+ 366.14618 192.0
[M]- 366.14728 192.0
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