CID 136106212

Brn 4776559

Structural Information

Molecular Formula
C38H26ClN7O3
SMILES
C1=CC=C(C=C1)C2=N/C(=C/C3=CNC4=CC=CC=C43)/C(=O)N2C5=CC=C(C=C5)C(=O)N/N=C(/C6=CC=CC=C6O)\N=NC7=CC=C(C=C7)Cl
InChI
InChI=1S/C38H26ClN7O3/c39-27-16-18-28(19-17-27)42-43-35(31-11-5-7-13-34(31)47)44-45-37(48)25-14-20-29(21-15-25)46-36(24-8-2-1-3-9-24)41-33(38(46)49)22-26-23-40-32-12-6-4-10-30(26)32/h1-23,40,47H,(H,45,48)/b33-22+,43-42?,44-35-
InChIKey
AOHRYHPMJKYRNJ-IGZVMGASSA-N
Compound name
N-[(Z)-[[(4-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-4-[(4E)-4-(1H-indol-3-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

663.1786 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 664.18588 250.6
[M+Na]+ 686.16782 255.1
[M-H]- 662.17132 267.8
[M+NH4]+ 681.21242 249.5
[M+K]+ 702.14176 246.5
[M+H-H2O]+ 646.17586 235.9
[M+HCOO]- 708.17680 268.0
[M+CH3COO]- 722.19245 255.3
[M+Na-2H]- 684.15327 249.8
[M]+ 663.17805 252.9
[M]- 663.17915 252.9
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.