CID 2827239

4,4'-methylenebis(n-(2-hydroxy-1-naphthylmethylene)aniline)

Structural Information

Molecular Formula
C35H26N2O2
SMILES
C1=CC=C2C(=C1)C=CC(=C2C=NC3=CC=C(C=C3)CC4=CC=C(C=C4)N=CC5=C(C=CC6=CC=CC=C65)O)O
InChI
InChI=1S/C35H26N2O2/c38-34-19-13-26-5-1-3-7-30(26)32(34)22-36-28-15-9-24(10-16-28)21-25-11-17-29(18-12-25)37-23-33-31-8-4-2-6-27(31)14-20-35(33)39/h1-20,22-23,38-39H,21H2
InChIKey
FECLBTRXQLVKAQ-UHFFFAOYSA-N
Compound name
1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.19943 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.20671 227.4
[M+Na]+ 529.18865 234.1
[M-H]- 505.19215 240.7
[M+NH4]+ 524.23325 233.8
[M+K]+ 545.16259 224.7
[M+H-H2O]+ 489.19669 213.0
[M+HCOO]- 551.19763 248.9
[M+CH3COO]- 565.21328 234.5
[M+Na-2H]- 527.17410 232.2
[M]+ 506.19888 227.9
[M]- 506.19998 227.9
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.