CID 135568428

Brn 4778236

Structural Information

Molecular Formula
C46H34ClN7O4
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=C(C=C8)Cl)OC
InChI
InChI=1S/C46H34ClN7O4/c1-57-40-26-19-32(27-41(40)58-2)43(51-50-34-22-20-33(47)21-23-34)52-53-45(55)31-17-24-35(25-18-31)54-44(30-13-7-4-8-14-30)49-39(46(54)56)28-37-36-15-9-10-16-38(36)48-42(37)29-11-5-3-6-12-29/h3-28,48H,1-2H3,(H,53,55)/b39-28-,51-50?,52-43-
InChIKey
VEMMJYPSJYKPIO-VINMSKFQSA-N
Compound name
N-[(Z)-[[(4-chlorophenyl)diazenyl]-(3,4-dimethoxyphenyl)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

783.2361 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 784.24338 275.9
[M+Na]+ 806.22532 278.6
[M-H]- 782.22882 295.9
[M+NH4]+ 801.26992 270.0
[M+K]+ 822.19926 271.4
[M+H-H2O]+ 766.23336 258.9
[M+HCOO]- 828.23430 292.0
[M+CH3COO]- 842.24995 278.5
[M+Na-2H]- 804.21077 272.7
[M]+ 783.23555 280.8
[M]- 783.23665 280.8
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.