CID 1563235

499101-90-5

Structural Information

Molecular Formula
C19H18ClN3OS3
SMILES
CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)SCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H18ClN3OS3/c1-2-13-5-9-16(10-6-13)21-17(24)12-26-19-23-22-18(27-19)25-11-14-3-7-15(20)8-4-14/h3-10H,2,11-12H2,1H3,(H,21,24)
InChIKey
ZBDWTCQKFVEWDH-UHFFFAOYSA-N
Compound name
2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.03006 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.03734 192.6
[M+Na]+ 458.01928 201.9
[M-H]- 434.02278 199.2
[M+NH4]+ 453.06388 203.3
[M+K]+ 473.99322 191.7
[M+H-H2O]+ 418.02732 185.8
[M+HCOO]- 480.02826 195.2
[M+CH3COO]- 494.04391 201.0
[M+Na-2H]- 456.00473 190.7
[M]+ 435.02951 197.7
[M]- 435.03061 197.7
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.