CID 80542

6300-42-1

Structural Information

Molecular Formula
C20H18N4O
SMILES
CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N=NC3=CC=C(C=C3)O)C
InChI
InChI=1S/C20H18N4O/c1-14-5-3-4-6-19(14)23-22-17-9-12-20(15(2)13-17)24-21-16-7-10-18(25)11-8-16/h3-13,25H,1-2H3
InChIKey
NJMJSHLPJWODPM-UHFFFAOYSA-N
Compound name
4-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

330.14807 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.155346 178.4
[M+Na]+ 353.137288 185.8
[M-H]- 329.140794 192.5
[M+NH4]+ 348.181893 192.9
[M+K]+ 369.111228 181.9
[M+H-H2O]+ 313.145330 167.2
[M+HCOO]- 375.146271 210.9
[M+CH3COO]- 389.161921 227.1
[M+Na-2H]- 351.122736 185.7
[M]+ 330.14752142 181.0
[M]- 330.14861858 181.0
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