CID 136133590

Einecs 245-028-6

Structural Information

Molecular Formula
C50H34N4O4
SMILES
C1=CC=C2C(=C1)C=CC(=C2C=NC3=CC(=C(C=C3N=CC4=C(C=CC5=CC=CC=C54)O)N=CC6=C(C=CC7=CC=CC=C76)O)N=CC8=C(C=CC9=CC=CC=C98)O)O
InChI
InChI=1S/C50H34N4O4/c55-47-21-17-31-9-1-5-13-35(31)39(47)27-51-43-25-45(53-29-41-37-15-7-3-11-33(37)19-23-49(41)57)46(54-30-42-38-16-8-4-12-34(38)20-24-50(42)58)26-44(43)52-28-40-36-14-6-2-10-32(36)18-22-48(40)56/h1-30,55-58H
InChIKey
UWAOWBTWIJNUHP-UHFFFAOYSA-N
Compound name
1-[[2,4,5-tris[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]iminomethyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

754.258 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 755.26528 274.5
[M+Na]+ 777.24722 278.5
[M-H]- 753.25072 289.8
[M+NH4]+ 772.29182 270.8
[M+K]+ 793.22116 271.5
[M+H-H2O]+ 737.25526 254.8
[M+HCOO]- 799.25620 291.6
[M+CH3COO]- 813.27185 276.3
[M+Na-2H]- 775.23267 279.4
[M]+ 754.25745 275.7
[M]- 754.25855 275.7
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.