CID 5281625

Dehydrocycloguanandin

Structural Information

Molecular Formula

C₁₈H₁₄O₄

SMILES

CC1(C=CC2=C(O1)C3=C(C=C2)C(=O)C4=C(C=CC=C4O3)O)C

InChI

InChI=1S/C18H14O4/c1-18(2)9-8-10-6-7-11-15(20)14-12(19)4-3-5-13(14)21-17(11)16(10)22-18/h3-9,19H,1-2H3

InChIKey

WTSFSOWKXDTLJX-UHFFFAOYSA-N

Compound name

8-hydroxy-2,2-dimethylpyrano[3,2-c]xanthen-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 294.0892 Da
Monoisotopic Mass: 4.1
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]+	295.09648	163.9
[M+Na]+	317.07842	177.0
[M-H]-	293.08192	171.9
[M+NH4]+	312.12302	181.8
[M+K]+	333.05236	174.4
[M+H-H2O]+	277.08646	156.1
[M+HCOO]-	339.08740	182.0
[M+CH3COO]-	353.10305	177.4
[M+Na-2H]-	315.06387	174.8
[M]+	294.08865	169.8
[M]-	294.08975	169.8

Literature stripe

literature stripe

Patent stripe

patents stripe