CID 1543071

476484-59-0

Structural Information

Molecular Formula
C15H18ClN3OS3
SMILES
CCN(CC)C(=O)CSC1=NN=C(S1)SCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H18ClN3OS3/c1-3-19(4-2)13(20)10-22-15-18-17-14(23-15)21-9-11-5-7-12(16)8-6-11/h5-8H,3-4,9-10H2,1-2H3
InChIKey
TZDSKVHOFJXFFC-UHFFFAOYSA-N
Compound name
2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-diethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

387.03006 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.03734 181.8
[M+Na]+ 410.01928 190.2
[M-H]- 386.02278 186.7
[M+NH4]+ 405.06388 194.9
[M+K]+ 425.99322 182.6
[M+H-H2O]+ 370.02732 175.2
[M+HCOO]- 432.02826 184.1
[M+CH3COO]- 446.04391 217.9
[M+Na-2H]- 408.00473 178.8
[M]+ 387.02951 188.5
[M]- 387.03061 188.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.