CID 76836

Einecs 222-028-4

Structural Information

Molecular Formula
C37H36N4O2
SMILES
CC1=CC(=C(C=C1)O)N=NC2=CC(=C(C=C2C)C(C3=CC=CC=C3)C4=C(C=C(C(=C4)C)N=NC5=C(C=CC(=C5)C)O)C)C
InChI
InChI=1S/C37H36N4O2/c1-22-12-14-35(42)33(16-22)40-38-31-20-24(3)29(18-26(31)5)37(28-10-8-7-9-11-28)30-19-27(6)32(21-25(30)4)39-41-34-17-23(2)13-15-36(34)43/h7-21,37,42-43H,1-6H3
InChIKey
ZTGVOCXFTQXPGJ-UHFFFAOYSA-N
Compound name
2-[[4-[[4-[(2-hydroxy-5-methylphenyl)diazenyl]-2,5-dimethylphenyl]-phenylmethyl]-2,5-dimethylphenyl]diazenyl]-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

568.2838 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.29108 253.7
[M+Na]+ 591.27302 271.5
[M+NH4]+ 586.31762 260.4
[M+K]+ 607.24696 259.2
[M-H]- 567.27652 268.0
[M+Na-2H]- 589.25847 266.5
[M]+ 568.28325 260.7
[M]- 568.28435 260.7
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

patents stripe