CID 1995956

586997-12-8

Structural Information

Molecular Formula
C18H18FN5OS
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C)F)C3=CC=NC=C3
InChI
InChI=1S/C18H18FN5OS/c1-3-24-17(13-6-8-20-9-7-13)22-23-18(24)26-11-16(25)21-14-5-4-12(2)15(19)10-14/h4-10H,3,11H2,1-2H3,(H,21,25)
InChIKey
PCEYJNZKGYGVEA-UHFFFAOYSA-N
Compound name
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.1216 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.12888 185.7
[M+Na]+ 394.11082 198.6
[M+NH4]+ 389.15542 191.2
[M+K]+ 410.08476 191.5
[M-H]- 370.11432 188.4
[M+Na-2H]- 392.09627 193.1
[M]+ 371.12105 188.6
[M]- 371.12215 188.6
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.