CID 154739

1',5-dimethoxy-3',7-dimethyl-(2,2'-binaphthalene)-1,4,5',8'-tetrol

Structural Information

Molecular Formula
C24H22O6
SMILES
CC1=CC2=C(C(=CC(=C2C(=C1)OC)O)C3=C(C4=C(C=CC(=C4C=C3C)O)O)OC)O
InChI
InChI=1S/C24H22O6/c1-11-7-14-21(19(8-11)29-3)18(27)10-15(23(14)28)20-12(2)9-13-16(25)5-6-17(26)22(13)24(20)30-4/h5-10,25-28H,1-4H3
InChIKey
ZJRWZTHOZANQFZ-UHFFFAOYSA-N
Compound name
6-(1,4-dihydroxy-5-methoxy-7-methylnaphthalen-2-yl)-5-methoxy-7-methylnaphthalene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

406.14163 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.14891 197.6
[M+Na]+ 429.13085 209.0
[M-H]- 405.13435 203.1
[M+NH4]+ 424.17545 208.8
[M+K]+ 445.10479 204.2
[M+H-H2O]+ 389.13889 189.1
[M+HCOO]- 451.13983 213.5
[M+CH3COO]- 465.15548 224.0
[M+Na-2H]- 427.11630 198.7
[M]+ 406.14108 204.2
[M]- 406.14218 204.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.