CID 9588710

139032-29-4

Structural Information

Molecular Formula
C34H29ClN6O2S
SMILES
CCN(CC)CN1C2=CC=CC=C2/C(=N\C3=NC(=C(S3)N=NC4=CC=C(C=C4)OC5=CC=C(C=C5)Cl)C6=CC=CC=C6)/C1=O
InChI
InChI=1S/C34H29ClN6O2S/c1-3-40(4-2)22-41-29-13-9-8-12-28(29)31(33(41)42)37-34-36-30(23-10-6-5-7-11-23)32(44-34)39-38-25-16-20-27(21-17-25)43-26-18-14-24(35)15-19-26/h5-21H,3-4,22H2,1-2H3/b37-31+,39-38?
InChIKey
UQCLSHURQKILPA-JTJCPQIOSA-N
Compound name
(3E)-3-[[5-[[4-(4-chlorophenoxy)phenyl]diazenyl]-4-phenyl-1,3-thiazol-2-yl]imino]-1-(diethylaminomethyl)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

620.17615 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.18343 249.3
[M+Na]+ 643.16537 264.9
[M+NH4]+ 638.20997 256.5
[M+K]+ 659.13931 254.8
[M-H]- 619.16887 262.0
[M+Na-2H]- 641.15082 261.4
[M]+ 620.17560 255.9
[M]- 620.17670 255.9
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.