CID 1051791

2-[[4-ethyl-5-(4-pyridinyl)-4h-1,2,4-triazol-3-yl]thio]-n-(4-methoxyphenyl)acetamide

Structural Information

Molecular Formula
C18H19N5O2S
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC)C3=CC=NC=C3
InChI
InChI=1S/C18H19N5O2S/c1-3-23-17(13-8-10-19-11-9-13)21-22-18(23)26-12-16(24)20-14-4-6-15(25-2)7-5-14/h4-11H,3,12H2,1-2H3,(H,20,24)
InChIKey
SKCDTFLNFNIFKS-UHFFFAOYSA-N
Compound name
2-[(4-ethyl-5-pyridin-4-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

369.12595 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.133226 185.7
[M+Na]+ 392.115168 194.1
[M-H]- 368.118674 191.0
[M+NH4]+ 387.159773 194.6
[M+K]+ 408.089108 188.0
[M+H-H2O]+ 352.123210 175.1
[M+HCOO]- 414.124151 201.4
[M+CH3COO]- 428.139801 195.1
[M+Na-2H]- 390.100616 186.2
[M]+ 369.12540142 190.5
[M]- 369.12649858 190.5
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.