CID 100437

Terphenyllin

Structural Information

Molecular Formula

C₂₀H₁₈O₅

SMILES

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

InChI

InChI=1S/C20H18O5/c1-24-17-11-16(12-3-7-14(21)8-4-12)20(25-2)19(23)18(17)13-5-9-15(22)10-6-13/h3-11,21-23H,1-2H3

InChIKey

YNEMPXKRLPZFAX-UHFFFAOYSA-N

Compound name

2,5-bis(4-hydroxyphenyl)-3,6-dimethoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 22
Patents: 338.11542 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]+	339.122696	178.1
[M+Na]+	361.104638	186.8
[M-H]-	337.108144	185.1
[M+NH4]+	356.149243	189.8
[M+K]+	377.078578	182.2
[M+H-H2O]+	321.112680	169.4
[M+HCOO]-	383.113621	197.9
[M+CH3COO]-	397.129271	206.7
[M+Na-2H]-	359.090086	179.8
[M]+	338.11487142	180.5
[M]-	338.11596858	180.5

Literature stripe

literature stripe

Patent stripe

patents stripe