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

89
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 198.9
[M+Na]+ 433.16216 205.7
[M-H]- 409.16566 207.7
[M+NH4]+ 428.20676 208.6
[M+K]+ 449.13610 203.4
[M+H-H2O]+ 393.17020 188.8
[M+HCOO]- 455.17114 218.8
[M+CH3COO]- 469.18679 224.2
[M+Na-2H]- 431.14761 201.2
[M]+ 410.17239 206.6
[M]- 410.17349 206.6
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