CID 1888871

477313-78-3

Structural Information

Molecular Formula
C18H15Cl2N3O2S3
SMILES
COC1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H15Cl2N3O2S3/c1-25-13-5-2-11(3-6-13)9-26-17-22-23-18(28-17)27-10-16(24)21-12-4-7-14(19)15(20)8-12/h2-8H,9-10H2,1H3,(H,21,24)
InChIKey
UAOKVPCKLWGRSJ-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.97034 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.97762 196.3
[M+Na]+ 493.95956 206.0
[M-H]- 469.96306 203.0
[M+NH4]+ 489.00416 206.1
[M+K]+ 509.93350 196.5
[M+H-H2O]+ 453.96760 190.6
[M+HCOO]- 515.96854 194.7
[M+CH3COO]- 529.98419 204.4
[M+Na-2H]- 491.94501 194.1
[M]+ 470.96979 203.6
[M]- 470.97089 203.6
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.