CID 5141869

1,1'-(3,4-dimethoxybenzylidene)di-2-naphthol

Structural Information

Molecular Formula
C29H24O4
SMILES
COC1=C(C=C(C=C1)C(C2=C(C=CC3=CC=CC=C32)O)C4=C(C=CC5=CC=CC=C54)O)OC
InChI
InChI=1S/C29H24O4/c1-32-25-16-13-20(17-26(25)33-2)27(28-21-9-5-3-7-18(21)11-14-23(28)30)29-22-10-6-4-8-19(22)12-15-24(29)31/h3-17,27,30-31H,1-2H3
InChIKey
BWWQTJUFBNSMGD-UHFFFAOYSA-N
Compound name
1-[(3,4-dimethoxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.16745 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.17473 208.1
[M+Na]+ 459.15667 215.8
[M-H]- 435.16017 217.2
[M+NH4]+ 454.20127 217.4
[M+K]+ 475.13061 209.5
[M+H-H2O]+ 419.16471 196.7
[M+HCOO]- 481.16565 225.1
[M+CH3COO]- 495.18130 216.6
[M+Na-2H]- 457.14212 210.9
[M]+ 436.16690 211.3
[M]- 436.16800 211.3
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

No patent data available for this compound.