CID 938471

2-((4-amino-5-(2,4-dichlorophenyl)-4h-1,2,4-triazol-3-yl)thio)acetamide

Structural Information

Molecular Formula
C10H9Cl2N5OS
SMILES
C1=CC(=C(C=C1Cl)Cl)C2=NN=C(N2N)SCC(=O)N
InChI
InChI=1S/C10H9Cl2N5OS/c11-5-1-2-6(7(12)3-5)9-15-16-10(17(9)14)19-4-8(13)18/h1-3H,4,14H2,(H2,13,18)
InChIKey
GDGAEPHZDSGYEU-UHFFFAOYSA-N
Compound name
2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.99048 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.99776 165.9
[M+Na]+ 339.97970 176.9
[M-H]- 315.98320 168.5
[M+NH4]+ 335.02430 179.4
[M+K]+ 355.95364 170.0
[M+H-H2O]+ 299.98774 158.8
[M+HCOO]- 361.98868 173.6
[M+CH3COO]- 376.00433 176.5
[M+Na-2H]- 337.96515 164.4
[M]+ 316.98993 169.1
[M]- 316.99103 169.1
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.