CID 109754

68213-95-6

Structural Information

Molecular Formula
C21H20N4O2
SMILES
CC1=CC(=C(C=C1)N=NC2=C(C=C(C(=C2)N=NC3=CC=CC=C3C)O)O)C
InChI
InChI=1S/C21H20N4O2/c1-13-8-9-17(15(3)10-13)23-25-19-11-18(20(26)12-21(19)27)24-22-16-7-5-4-6-14(16)2/h4-12,26-27H,1-3H3
InChIKey
OLPHSMJJXZMULF-UHFFFAOYSA-N
Compound name
4-[(2,4-dimethylphenyl)diazenyl]-6-[(2-methylphenyl)diazenyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.15863 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16591 187.3
[M+Na]+ 383.14785 195.5
[M-H]- 359.15135 200.7
[M+NH4]+ 378.19245 200.4
[M+K]+ 399.12179 191.5
[M+H-H2O]+ 343.15589 176.3
[M+HCOO]- 405.15683 218.1
[M+CH3COO]- 419.17248 232.5
[M+Na-2H]- 381.13330 192.2
[M]+ 360.15808 190.7
[M]- 360.15918 190.7
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.