CID 115429

Einecs 264-579-3

Structural Information

Molecular Formula
C37H35ClN4O2
SMILES
CC1=CC(=C(C=C1)O)N=NC2=CC(=C(C=C2C)C(C3=CC=CC=C3Cl)C4=C(C=C(C(=C4)C)N=NC5=C(C=CC(=C5)C)O)C)C
InChI
InChI=1S/C37H35ClN4O2/c1-21-11-13-35(43)33(15-21)41-39-31-19-23(3)28(17-25(31)5)37(27-9-7-8-10-30(27)38)29-18-26(6)32(20-24(29)4)40-42-34-16-22(2)12-14-36(34)44/h7-20,37,43-44H,1-6H3
InChIKey
KAXXSZSUIBJXTQ-UHFFFAOYSA-N
Compound name
2-[[4-[(2-chlorophenyl)-[4-[(2-hydroxy-5-methylphenyl)diazenyl]-2,5-dimethylphenyl]methyl]-2,5-dimethylphenyl]diazenyl]-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

602.2449 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.25218 262.3
[M+Na]+ 625.23412 281.3
[M+NH4]+ 620.27872 269.2
[M+K]+ 641.20806 268.0
[M-H]- 601.23762 276.7
[M+Na-2H]- 623.21957 274.6
[M]+ 602.24435 269.8
[M]- 602.24545 269.8
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.