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 199.3
[M+Na]+ 499.05389 208.1
[M+NH4]+ 494.09849 204.6
[M+K]+ 515.02783 199.4
[M-H]- 475.05739 203.4
[M+Na-2H]- 497.03934 205.4
[M]+ 476.06412 202.8
[M]- 476.06522 202.8
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.