CID 1962490

571180-31-9

Structural Information

Molecular Formula
C18H20N4O2S2
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OCC)C3=CC=CS3
InChI
InChI=1S/C18H20N4O2S2/c1-3-22-17(15-6-5-11-25-15)20-21-18(22)26-12-16(23)19-13-7-9-14(10-8-13)24-4-2/h5-11H,3-4,12H2,1-2H3,(H,19,23)
InChIKey
CEFUYDQPDQEWDC-UHFFFAOYSA-N
Compound name
N-(4-ethoxyphenyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]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 187.8
[M+Na]+ 411.09200 199.5
[M+NH4]+ 406.13660 194.4
[M+K]+ 427.06594 192.4
[M-H]- 387.09550 191.9
[M+Na-2H]- 409.07745 194.5
[M]+ 388.10223 191.4
[M]- 388.10333 191.4
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.