CID 162578

Einecs 256-459-4

Structural Information

Molecular Formula
C26H20Cl2N4O2
SMILES
CC1=C(C=CC(=C1)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC4=CC(=C(C=C4)O)C)Cl)Cl)O
InChI
InChI=1S/C26H20Cl2N4O2/c1-15-11-19(5-9-25(15)33)29-31-23-7-3-17(13-21(23)27)18-4-8-24(22(28)14-18)32-30-20-6-10-26(34)16(2)12-20/h3-14,33-34H,1-2H3
InChIKey
RKYWHGMMZMVODH-UHFFFAOYSA-N
Compound name
4-[[2-chloro-4-[3-chloro-4-[(4-hydroxy-3-methylphenyl)diazenyl]phenyl]phenyl]diazenyl]-2-methylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

490.09634 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.10362 223.3
[M+Na]+ 513.08556 233.2
[M-H]- 489.08906 238.1
[M+NH4]+ 508.13016 232.3
[M+K]+ 529.05950 225.9
[M+H-H2O]+ 473.09360 211.9
[M+HCOO]- 535.09454 243.4
[M+CH3COO]- 549.11019 232.7
[M+Na-2H]- 511.07101 224.7
[M]+ 490.09579 230.8
[M]- 490.09689 230.8
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.