CID 135853566

68227-34-9

Structural Information

Molecular Formula
C37H36N8O3
SMILES
CC1=CC(=C(C=C1)C)N=NC2=C(C(=C(C=C2)N=NC3=C(C=CC(=C3O)N=NC4=CC(=C(C=C4C)N=NC5=CC=CC=C5OC)C)O)C)C
InChI
InChI=1S/C37H36N8O3/c1-21-12-13-22(2)31(18-21)42-38-27-14-15-28(26(6)25(27)5)39-45-36-34(46)17-16-30(37(36)47)41-44-33-20-23(3)32(19-24(33)4)43-40-29-10-8-9-11-35(29)48-7/h8-20,46-47H,1-7H3
InChIKey
GUXPHBJDIGWJAV-UHFFFAOYSA-N
Compound name
2-[[4-[(2,5-dimethylphenyl)diazenyl]-2,3-dimethylphenyl]diazenyl]-4-[[4-[(2-methoxyphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

640.291 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 641.29828 269.3
[M+Na]+ 663.28022 275.5
[M-H]- 639.28372 292.0
[M+NH4]+ 658.32482 271.5
[M+K]+ 679.25416 272.9
[M+H-H2O]+ 623.28826 251.1
[M+HCOO]- 685.28920 304.4
[M+CH3COO]- 699.30485 305.3
[M+Na-2H]- 661.26567 270.3
[M]+ 640.29045 278.1
[M]- 640.29155 278.1
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.