CID 135801389

5,5'-(3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(1-(4-nitrophenyl)-3-phenylformazan)

Structural Information

Molecular Formula
C40H32N10O6
SMILES
COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N/N=C(/N=NC3=CC=C(C=C3)[N+](=O)[O-])\C4=CC=CC=C4)OC)N/N=C(/N=NC5=CC=C(C=C5)[N+](=O)[O-])\C6=CC=CC=C6
InChI
InChI=1S/C40H32N10O6/c1-55-37-25-29(13-23-35(37)43-47-39(27-9-5-3-6-10-27)45-41-31-15-19-33(20-16-31)49(51)52)30-14-24-36(38(26-30)56-2)44-48-40(28-11-7-4-8-12-28)46-42-32-17-21-34(22-18-32)50(53)54/h3-26,43-44H,1-2H3/b45-41?,46-42?,47-39+,48-40+
InChIKey
KEMIHQQODRIPRE-CNPLHLMXSA-N
Compound name
N'-[2-methoxy-4-[3-methoxy-4-[(2E)-2-[[(4-nitrophenyl)diazenyl]-phenylmethylidene]hydrazinyl]phenyl]anilino]-N-(4-nitrophenyl)iminobenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

748.2506 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 749.25788 260.5
[M+Na]+ 771.23982 252.8
[M-H]- 747.24332 279.6
[M+NH4]+ 766.28442 252.7
[M+K]+ 787.21376 244.8
[M+H-H2O]+ 731.24786 248.1
[M+HCOO]- 793.24880 290.9
[M+CH3COO]- 807.26445 296.0
[M+Na-2H]- 769.22527 297.5
[M]+ 748.25005 257.8
[M]- 748.25115 257.8
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.