CID 327530

P-(n-(2-thenylidene)amino)phenyl sulfone

Structural Information

Molecular Formula
C22H16N2O2S3
SMILES
C1=CSC(=C1)C=NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)N=CC4=CC=CS4
InChI
InChI=1S/C22H16N2O2S3/c25-29(26,21-9-5-17(6-10-21)23-15-19-3-1-13-27-19)22-11-7-18(8-12-22)24-16-20-4-2-14-28-20/h1-16H
InChIKey
ATGSMFVSXNRYQU-UHFFFAOYSA-N
Compound name
1-thiophen-2-yl-N-[4-[4-(thiophen-2-ylmethylideneamino)phenyl]sulfonylphenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

436.03738 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.04466 197.4
[M+Na]+ 459.02660 210.1
[M+NH4]+ 454.07120 206.0
[M+K]+ 475.00054 199.0
[M-H]- 435.03010 206.1
[M+Na-2H]- 457.01205 208.4
[M]+ 436.03683 203.2
[M]- 436.03793 203.2
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

patents stripe