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 209.8
[M+Na]+ 459.02660 221.1
[M-H]- 435.03010 225.1
[M+NH4]+ 454.07120 224.5
[M+K]+ 475.00054 212.2
[M+H-H2O]+ 419.03464 202.8
[M+HCOO]- 481.03558 226.0
[M+CH3COO]- 495.05123 220.5
[M+Na-2H]- 457.01205 210.8
[M]+ 436.03683 215.1
[M]- 436.03793 215.1
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

patents stripe