CID 1977751

578001-68-0

Structural Information

Molecular Formula
C17H15Cl2N5OS
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)Cl)Cl)C3=CN=CC=C3
InChI
InChI=1S/C17H15Cl2N5OS/c1-2-24-16(11-4-3-5-20-9-11)22-23-17(24)26-10-15(25)21-14-7-12(18)6-13(19)8-14/h3-9H,2,10H2,1H3,(H,21,25)
InChIKey
YUAGSFWPGTUECH-UHFFFAOYSA-N
Compound name
N-(3,5-dichlorophenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.03745 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.04473 192.3
[M+Na]+ 430.02667 207.8
[M+NH4]+ 425.07127 199.0
[M+K]+ 446.00061 198.9
[M-H]- 406.03017 196.4
[M+Na-2H]- 428.01212 200.4
[M]+ 407.03690 196.7
[M]- 407.03800 196.7
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.