CID 136106208

Brn 4775615

Structural Information

Molecular Formula
C33H24ClN7O3
SMILES
CC1=N/C(=C/C2=CNC3=CC=CC=C32)/C(=O)N1C4=CC=C(C=C4)C(=O)N/N=C(/C5=CC=CC=C5O)\N=NC6=CC(=CC=C6)Cl
InChI
InChI=1S/C33H24ClN7O3/c1-20-36-29(17-22-19-35-28-11-4-2-9-26(22)28)33(44)41(20)25-15-13-21(14-16-25)32(43)40-39-31(27-10-3-5-12-30(27)42)38-37-24-8-6-7-23(34)18-24/h2-19,35,42H,1H3,(H,40,43)/b29-17+,38-37?,39-31-
InChIKey
OLSJSZKDXMLWQR-IKIHRXTJSA-N
Compound name
N-[(Z)-[[(3-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-4-[(4E)-4-(1H-indol-3-ylmethylidene)-2-methyl-5-oxoimidazol-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

601.1629 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 602.17018 241.2
[M+Na]+ 624.15212 247.2
[M-H]- 600.15562 256.4
[M+NH4]+ 619.19672 243.5
[M+K]+ 640.12606 239.1
[M+H-H2O]+ 584.16016 227.9
[M+HCOO]- 646.16110 259.8
[M+CH3COO]- 660.17675 247.3
[M+Na-2H]- 622.13757 240.3
[M]+ 601.16235 244.7
[M]- 601.16345 244.7
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.