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 193.6
[M+Na]+ 477.96465 203.8
[M-H]- 453.96815 200.3
[M+NH4]+ 473.00925 204.2
[M+K]+ 493.93859 193.6
[M+H-H2O]+ 437.97269 187.9
[M+HCOO]- 499.97363 191.7
[M+CH3COO]- 513.98928 202.0
[M+Na-2H]- 475.95010 190.9
[M]+ 454.97488 199.7
[M]- 454.97598 199.7
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.