CID 3736658

572891-16-8

Structural Information

Molecular Formula
C18H20N4O2S2
SMILES
CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C)OC)C3=CC=CS3
InChI
InChI=1S/C18H20N4O2S2/c1-4-22-17(15-6-5-9-25-15)20-21-18(22)26-11-16(23)19-13-10-12(2)7-8-14(13)24-3/h5-10H,4,11H2,1-3H3,(H,19,23)
InChIKey
XXOZVWPCTACIFA-UHFFFAOYSA-N
Compound name
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.10278 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.11006 189.1
[M+Na]+ 411.09200 201.1
[M+NH4]+ 406.13660 195.7
[M+K]+ 427.06594 194.2
[M-H]- 387.09550 193.2
[M+Na-2H]- 409.07745 195.4
[M]+ 388.10223 192.8
[M]- 388.10333 192.8
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.