CID 9589163

123992-02-9

Structural Information

Molecular Formula
C32H32N6O2S2
SMILES
COC1=CC=C(C=C1)CNC(=S)NN=C(C2=CC=CC=C2)/C(=N/NC(=S)NCC3=CC=C(C=C3)OC)/C4=CC=CC=C4
InChI
InChI=1S/C32H32N6O2S2/c1-39-27-17-13-23(14-18-27)21-33-31(41)37-35-29(25-9-5-3-6-10-25)30(26-11-7-4-8-12-26)36-38-32(42)34-22-24-15-19-28(40-2)20-16-24/h3-20H,21-22H2,1-2H3,(H2,33,37,41)(H2,34,38,42)/b35-29+,36-30?
InChIKey
ZRUMNJIWLQURHX-NCVSJTQASA-N
Compound name
1-[(4-methoxyphenyl)methyl]-3-[[(2E)-2-[(4-methoxyphenyl)methylcarbamothioylhydrazinylidene]-1,2-diphenylethylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

596.2028 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.21008 231.8
[M+Na]+ 619.19202 240.1
[M+NH4]+ 614.23662 236.8
[M+K]+ 635.16596 228.8
[M-H]- 595.19552 242.0
[M+Na-2H]- 617.17747 243.6
[M]+ 596.20225 236.3
[M]- 596.20335 236.3
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.