CID 135568422

Brn 4777853

Structural Information

Molecular Formula
C41H32ClN7O4
SMILES
CC1=N/C(=C\C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)/C(=O)N1C5=CC=C(C=C5)C(=O)N/N=C(/C6=CC(=C(C=C6)OC)OC)\N=NC7=CC=C(C=C7)Cl
InChI
InChI=1S/C41H32ClN7O4/c1-25-43-35(24-33-32-11-7-8-12-34(32)44-38(33)26-9-5-4-6-10-26)41(51)49(25)31-20-13-27(14-21-31)40(50)48-47-39(46-45-30-18-16-29(42)17-19-30)28-15-22-36(52-2)37(23-28)53-3/h4-24,44H,1-3H3,(H,48,50)/b35-24-,46-45?,47-39-
InChIKey
RDOIZOQSWXINBA-ZMWLDESWSA-N
Compound name
N-[(Z)-[[(4-chlorophenyl)diazenyl]-(3,4-dimethoxyphenyl)methylidene]amino]-4-[(4Z)-2-methyl-5-oxo-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

721.22046 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 722.22774 269.1
[M+Na]+ 744.20968 273.5
[M-H]- 720.21318 287.5
[M+NH4]+ 739.25428 266.5
[M+K]+ 760.18362 266.4
[M+H-H2O]+ 704.21772 253.5
[M+HCOO]- 766.21866 286.6
[M+CH3COO]- 780.23431 273.2
[M+Na-2H]- 742.19513 265.7
[M]+ 721.21991 275.6
[M]- 721.22101 275.6
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.