CID 9588712

139032-31-8

Structural Information

Molecular Formula
C34H30N6O2S
SMILES
CCN(CC)CN1C2=CC=CC=C2/C(=N\C3=NC(=C(S3)N=NC4=CC=C(C=C4)OC5=CC=CC=C5)C6=CC=CC=C6)/C1=O
InChI
InChI=1S/C34H30N6O2S/c1-3-39(4-2)23-40-29-18-12-11-17-28(29)31(33(40)41)36-34-35-30(24-13-7-5-8-14-24)32(43-34)38-37-25-19-21-27(22-20-25)42-26-15-9-6-10-16-26/h5-22H,3-4,23H2,1-2H3/b36-31+,38-37?
InChIKey
HMECECQNTDWOPP-KNCLGTOZSA-N
Compound name
(3E)-1-(diethylaminomethyl)-3-[[5-[(4-phenoxyphenyl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]imino]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

586.2151 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.22238 241.0
[M+Na]+ 609.20432 255.4
[M+NH4]+ 604.24892 248.0
[M+K]+ 625.17826 246.3
[M-H]- 585.20782 253.6
[M+Na-2H]- 607.18977 253.5
[M]+ 586.21455 247.1
[M]- 586.21565 247.1
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.