CID 2801599

1,1'-(2-methoxybenzylidene)di-2-naphthol

Structural Information

Molecular Formula
C28H22O3
SMILES
COC1=CC=CC=C1C(C2=C(C=CC3=CC=CC=C32)O)C4=C(C=CC5=CC=CC=C54)O
InChI
InChI=1S/C28H22O3/c1-31-25-13-7-6-12-22(25)28(26-20-10-4-2-8-18(20)14-16-23(26)29)27-21-11-5-3-9-19(21)15-17-24(27)30/h2-17,28-30H,1H3
InChIKey
GVQAEHLSGDWCHC-UHFFFAOYSA-N
Compound name
1-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.1569 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.16418 199.8
[M+Na]+ 429.14612 207.5
[M-H]- 405.14962 208.8
[M+NH4]+ 424.19072 210.3
[M+K]+ 445.12006 200.3
[M+H-H2O]+ 389.15416 188.9
[M+HCOO]- 451.15510 217.1
[M+CH3COO]- 465.17075 208.7
[M+Na-2H]- 427.13157 203.8
[M]+ 406.15635 201.0
[M]- 406.15745 201.0
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.