CID 74466

Pentamethoxy red

Structural Information

Molecular Formula

C₂₄H₂₆O₆

SMILES

COC1=CC(=C(C=C1)C(C2=C(C=C(C=C2)OC)OC)(C3=CC=CC=C3OC)O)OC

InChI

InChI=1S/C24H26O6/c1-26-16-10-12-19(22(14-16)29-4)24(25,18-8-6-7-9-21(18)28-3)20-13-11-17(27-2)15-23(20)30-5/h6-15,25H,1-5H3

InChIKey

GEPSNGQKRLULHW-UHFFFAOYSA-N

Compound name

bis(2,4-dimethoxyphenyl)-(2-methoxyphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 107
Patents: 410.17294 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]+	411.180216	198.9
[M+Na]+	433.162158	205.7
[M-H]-	409.165664	207.7
[M+NH4]+	428.206763	208.6
[M+K]+	449.136098	203.4
[M+H-H2O]+	393.170200	188.8
[M+HCOO]-	455.171141	218.8
[M+CH3COO]-	469.186791	224.2
[M+Na-2H]-	431.147606	201.2
[M]+	410.17239142	206.6
[M]-	410.17348858	206.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe