CID 51136422

Compound np-017013

Structural Information

Molecular Formula

C₂₀H₂₀O₄

SMILES

CC(=C)C1CC2=C(O1)C=CC3=C2OCC(C3)C4=C(C=C(C=C4)O)O

InChI

InChI=1S/C20H20O4/c1-11(2)19-9-16-18(24-19)6-3-12-7-13(10-23-20(12)16)15-5-4-14(21)8-17(15)22/h3-6,8,13,19,21-22H,1,7,9-10H2,2H3

InChIKey

LBZMXGLPRHGPRE-UHFFFAOYSA-N

Compound name

4-(8-prop-1-en-2-yl-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-3-yl)benzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1
Patents: 324.13617 Da
Monoisotopic Mass: 4.3
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]+	325.143446	175.6
[M+Na]+	347.125388	182.8
[M-H]-	323.128894	182.9
[M+NH4]+	342.169993	189.7
[M+K]+	363.099328	179.6
[M+H-H2O]+	307.133430	169.4
[M+HCOO]-	369.134371	188.8
[M+CH3COO]-	383.150021	186.1
[M+Na-2H]-	345.110836	176.7
[M]+	324.13562142	174.9
[M]-	324.13671858	174.9

Literature stripe

literature stripe

Patent stripe

patents stripe