CID 75585

Dtxsid00883850

Structural Information

Molecular Formula
C21H20N4O
SMILES
CC1=CC(=CC=C1)N=NC2=C(C=C(C=C2)N=NC3=C(C=CC(=C3)C)O)C
InChI
InChI=1S/C21H20N4O/c1-14-5-4-6-17(11-14)22-24-19-9-8-18(13-16(19)3)23-25-20-12-15(2)7-10-21(20)26/h4-13,26H,1-3H3
InChIKey
ZWGIWBPSFVJJAG-UHFFFAOYSA-N
Compound name
4-methyl-2-[[3-methyl-4-[(3-methylphenyl)diazenyl]phenyl]diazenyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

344.1637 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.170976 183.7
[M+Na]+ 367.152918 191.6
[M-H]- 343.156424 198.0
[M+NH4]+ 362.197523 198.0
[M+K]+ 383.126858 187.6
[M+H-H2O]+ 327.160960 172.5
[M+HCOO]- 389.161901 215.9
[M+CH3COO]- 403.177551 231.3
[M+Na-2H]- 365.138366 189.7
[M]+ 344.16315142 187.1
[M]- 344.16424858 187.1
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.