CID 135568432

Brn 4778514

Structural Information

Molecular Formula
C46H34N8O6
SMILES
COC1=C(C=C(C=C1)/C(=N\NC(=O)C2=CC=C(C=C2)N3C(=N/C(=C\C4=C(NC5=CC=CC=C54)C6=CC=CC=C6)/C3=O)C7=CC=CC=C7)/N=NC8=CC(=CC=C8)[N+](=O)[O-])OC
InChI
InChI=1S/C46H34N8O6/c1-59-40-25-22-32(26-41(40)60-2)43(50-49-33-16-11-17-35(27-33)54(57)58)51-52-45(55)31-20-23-34(24-21-31)53-44(30-14-7-4-8-15-30)48-39(46(53)56)28-37-36-18-9-10-19-38(36)47-42(37)29-12-5-3-6-13-29/h3-28,47H,1-2H3,(H,52,55)/b39-28-,50-49?,51-43+
InChIKey
UOVWVGKAEGRKAO-OXKNMVGASA-N
Compound name
N-[(E)-[(3,4-dimethoxyphenyl)-[(3-nitrophenyl)diazenyl]methylidene]amino]-4-[(4Z)-5-oxo-2-phenyl-4-[(2-phenyl-1H-indol-3-yl)methylidene]imidazol-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

794.26013 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 795.26741 268.9
[M+Na]+ 817.24935 265.7
[M-H]- 793.25285 288.6
[M+NH4]+ 812.29395 259.6
[M+K]+ 833.22329 257.2
[M+H-H2O]+ 777.25739 255.4
[M+HCOO]- 839.25833 288.8
[M+CH3COO]- 853.27398 295.7
[M+Na-2H]- 815.23480 267.4
[M]+ 794.25958 268.2
[M]- 794.26068 268.2
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.