CID 182251

Oxyimperatorin

Structural Information

Molecular Formula

C₁₆H₁₄O₅

SMILES

CC1(C(O1)COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C

InChI

InChI=1S/C16H14O5/c1-16(2)11(21-16)8-19-15-13-10(5-6-18-13)7-9-3-4-12(17)20-14(9)15/h3-7,11H,8H2,1-2H3

InChIKey

CTJZWFCPUDPLME-UHFFFAOYSA-N

Compound name

9-[(3,3-dimethyloxiran-2-yl)methoxy]furo[3,2-g]chromen-7-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 24
References: 32
Patents: 286.08414 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]+	287.091416	160.3
[M+Na]+	309.073358	174.9
[M-H]-	285.076864	173.0
[M+NH4]+	304.117963	173.8
[M+K]+	325.047298	175.1
[M+H-H2O]+	269.081400	154.7
[M+HCOO]-	331.082341	181.5
[M+CH3COO]-	345.097991	175.1
[M+Na-2H]-	307.058806	169.7
[M]+	286.08359142	173.6
[M]-	286.08468858	173.6

Literature stripe

literature stripe

Patent stripe

patents stripe