CID 997661

433235-42-8

Structural Information

Molecular Formula
C17H18N4O2S2
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC)C3=CC=CS3
InChI
InChI=1S/C17H18N4O2S2/c1-3-21-16(14-5-4-10-24-14)19-20-17(21)25-11-15(22)18-12-6-8-13(23-2)9-7-12/h4-10H,3,11H2,1-2H3,(H,18,22)
InChIKey
RBPZHHLNFBWWSQ-UHFFFAOYSA-N
Compound name
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

374.08713 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.09441 183.9
[M+Na]+ 397.07635 194.6
[M-H]- 373.07985 191.6
[M+NH4]+ 392.12095 197.0
[M+K]+ 413.05029 188.6
[M+H-H2O]+ 357.08439 176.2
[M+HCOO]- 419.08533 198.6
[M+CH3COO]- 433.10098 194.8
[M+Na-2H]- 395.06180 181.6
[M]+ 374.08658 191.6
[M]- 374.08768 191.6
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.