CID 2887155

425372-95-8

Structural Information

Molecular Formula
C20H20N4O4S3
SMILES
COC1=CC=CC=C1NC(=O)CSC2=NSC(=N2)SCC(=O)NC3=CC=CC=C3OC
InChI
InChI=1S/C20H20N4O4S3/c1-27-15-9-5-3-7-13(15)21-17(25)11-29-19-23-20(31-24-19)30-12-18(26)22-14-8-4-6-10-16(14)28-2/h3-10H,11-12H2,1-2H3,(H,21,25)(H,22,26)
InChIKey
TWWWLESRFNEIBW-UHFFFAOYSA-N
Compound name
2-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.06467 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.07195 203.6
[M+Na]+ 499.05389 209.4
[M-H]- 475.05739 209.2
[M+NH4]+ 494.09849 210.4
[M+K]+ 515.02783 201.4
[M+H-H2O]+ 459.06193 195.1
[M+HCOO]- 521.06287 210.6
[M+CH3COO]- 535.07852 232.8
[M+Na-2H]- 497.03934 203.4
[M]+ 476.06412 208.8
[M]- 476.06522 208.8
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.