CID 5319509

Folerogenin

Structural Information

Molecular Formula

C₁₆H₁₄O₆

SMILES

COC1=CC(=C2C(=C1)OC(C(C2=O)O)C3=CC=C(C=C3)O)O

InChI

InChI=1S/C16H14O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,15-18,20H,1H3

InChIKey

LZLGHWHSUZVUFZ-UHFFFAOYSA-N

Compound name

3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 932
Patents: 302.07904 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	303.08632	165.0
[M+Na]+	325.06826	174.0
[M-H]-	301.07176	170.4
[M+NH4]+	320.11286	178.2
[M+K]+	341.04220	171.5
[M+H-H2O]+	285.07630	157.9
[M+HCOO]-	347.07724	181.4
[M+CH3COO]-	361.09289	199.2
[M+Na-2H]-	323.05371	168.8
[M]+	302.07849	166.4
[M]-	302.07959	166.4

Literature stripe

literature stripe

Patent stripe

patents stripe