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
1
Annotation Hits

0
References

87
Patents

410.17294 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.18022 199.5
[M+Na]+ 433.16216 214.3
[M+NH4]+ 428.20676 205.6
[M+K]+ 449.13610 207.5
[M-H]- 409.16566 204.4
[M+Na-2H]- 431.14761 208.2
[M]+ 410.17239 203.2
[M]- 410.17349 203.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe