CID 1890132

476484-57-8

Structural Information

Molecular Formula
C19H18ClN3OS3
SMILES
CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(S2)SCC3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C19H18ClN3OS3/c1-12-7-13(2)9-16(8-12)21-17(24)11-26-19-23-22-18(27-19)25-10-14-3-5-15(20)6-4-14/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKey
LUEHPPFTRIZZKT-UHFFFAOYSA-N
Compound name
2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.03006 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.03734 193.6
[M+Na]+ 458.01928 206.9
[M+NH4]+ 453.06388 201.9
[M+K]+ 473.99322 194.6
[M-H]- 434.02278 199.5
[M+Na-2H]- 456.00473 200.6
[M]+ 435.02951 198.9
[M]- 435.03061 198.9
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.