CID 1890059

476484-63-6

Structural Information

Molecular Formula
C18H15Cl2N3OS3
SMILES
CC1=C(C=CC(=C1)Cl)NC(=O)CSC2=NN=C(S2)SCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H15Cl2N3OS3/c1-11-8-14(20)6-7-15(11)21-16(24)10-26-18-23-22-17(27-18)25-9-12-2-4-13(19)5-3-12/h2-8H,9-10H2,1H3,(H,21,24)
InChIKey
VLIHZBOMTMYSBE-UHFFFAOYSA-N
Compound name
N-(4-chloro-2-methylphenyl)-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.97543 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.98271 198.6
[M+Na]+ 477.96465 212.4
[M+NH4]+ 473.00925 206.9
[M+K]+ 493.93859 199.6
[M-H]- 453.96815 204.3
[M+Na-2H]- 475.95010 205.4
[M]+ 454.97488 204.1
[M]- 454.97598 204.1
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.