CID 1420050

2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-n-[3-(trifluoromethyl)phenyl]acetamide

Structural Information

Molecular Formula
C19H16F3N3O2S3
SMILES
COC1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C19H16F3N3O2S3/c1-27-15-7-5-12(6-8-15)10-28-17-24-25-18(30-17)29-11-16(26)23-14-4-2-3-13(9-14)19(20,21)22/h2-9H,10-11H2,1H3,(H,23,26)
InChIKey
PHWKROVXZCNGBR-UHFFFAOYSA-N
Compound name
2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.03568 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.04296 198.3
[M+Na]+ 494.02490 206.8
[M-H]- 470.02840 200.6
[M+NH4]+ 489.06950 206.2
[M+K]+ 509.99884 197.2
[M+H-H2O]+ 454.03294 188.0
[M+HCOO]- 516.03388 201.1
[M+CH3COO]- 530.04953 228.9
[M+Na-2H]- 492.01035 196.8
[M]+ 471.03513 199.6
[M]- 471.03623 199.6
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.