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
1
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]+ 345.17098 183.7
[M+Na]+ 367.15292 191.6
[M-H]- 343.15642 198.0
[M+NH4]+ 362.19752 198.0
[M+K]+ 383.12686 187.6
[M+H-H2O]+ 327.16096 172.5
[M+HCOO]- 389.16190 215.9
[M+CH3COO]- 403.17755 231.3
[M+Na-2H]- 365.13837 189.7
[M]+ 344.16315 187.1
[M]- 344.16425 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.