CID 3827799

763115-20-4

Structural Information

Molecular Formula
C24H21N3O3S3
SMILES
COC1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4
InChI
InChI=1S/C24H21N3O3S3/c1-29-19-11-7-17(8-12-19)15-31-23-26-27-24(33-23)32-16-22(28)25-18-9-13-21(14-10-18)30-20-5-3-2-4-6-20/h2-14H,15-16H2,1H3,(H,25,28)
InChIKey
YTXKVIBQQBUMLX-UHFFFAOYSA-N
Compound name
2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.0745 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.08178 209.2
[M+Na]+ 518.06372 216.8
[M-H]- 494.06722 218.0
[M+NH4]+ 513.10832 215.8
[M+K]+ 534.03766 207.4
[M+H-H2O]+ 478.07176 200.6
[M+HCOO]- 540.07270 216.9
[M+CH3COO]- 554.08835 216.4
[M+Na-2H]- 516.04917 209.1
[M]+ 495.07395 214.1
[M]- 495.07505 214.1
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

No patent data available for this compound.