CID 44257206

Glyzarin

Structural Information

Molecular Formula
C18H14O4
SMILES
CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C(=O)C)C3=CC=CC=C3
InChI
InChI=1S/C18H14O4/c1-10(19)15-14(20)9-8-13-17(21)16(11(2)22-18(13)15)12-6-4-3-5-7-12/h3-9,20H,1-2H3
InChIKey
KTCOGEGNUCOCON-UHFFFAOYSA-N
Compound name
8-acetyl-7-hydroxy-2-methyl-3-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

294.0892 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.09648 164.8
[M+Na]+ 317.07842 181.5
[M+NH4]+ 312.12302 172.7
[M+K]+ 333.05236 174.5
[M-H]- 293.08192 170.5
[M+Na-2H]- 315.06387 172.4
[M]+ 294.08865 169.0
[M]- 294.08975 169.0
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