CID 9589165

124010-93-1

Structural Information

Molecular Formula
C34H36N6O2S2
SMILES
CCOC1=CC=C(C=C1)CNC(=S)NN=C(C2=CC=CC=C2)/C(=N/NC(=S)NCC3=CC=C(C=C3)OCC)/C4=CC=CC=C4
InChI
InChI=1S/C34H36N6O2S2/c1-3-41-29-19-15-25(16-20-29)23-35-33(43)39-37-31(27-11-7-5-8-12-27)32(28-13-9-6-10-14-28)38-40-34(44)36-24-26-17-21-30(22-18-26)42-4-2/h5-22H,3-4,23-24H2,1-2H3,(H2,35,39,43)(H2,36,40,44)/b37-31+,38-32?
InChIKey
YNFXZUZAKQVFOC-KKRKNLEZSA-N
Compound name
1-[(4-ethoxyphenyl)methyl]-3-[[(2E)-2-[(4-ethoxyphenyl)methylcarbamothioylhydrazinylidene]-1,2-diphenylethylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

624.23413 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 625.24141 239.4
[M+Na]+ 647.22335 247.3
[M+NH4]+ 642.26795 244.1
[M+K]+ 663.19729 235.6
[M-H]- 623.22685 249.5
[M+Na-2H]- 645.20880 250.8
[M]+ 624.23358 243.8
[M]- 624.23468 243.8
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.