CID 2963441

557065-79-9

Structural Information

Molecular Formula
C19H20N6O2S
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)NC(=O)C)C3=CN=CC=C3
InChI
InChI=1S/C19H20N6O2S/c1-3-25-18(14-5-4-10-20-11-14)23-24-19(25)28-12-17(27)22-16-8-6-15(7-9-16)21-13(2)26/h4-11H,3,12H2,1-2H3,(H,21,26)(H,22,27)
InChIKey
JBRBPAZVFZQFIF-UHFFFAOYSA-N
Compound name
N-(4-acetamidophenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.13684 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.14412 191.1
[M+Na]+ 419.12606 202.5
[M+NH4]+ 414.17066 195.8
[M+K]+ 435.10000 196.7
[M-H]- 395.12956 194.7
[M+Na-2H]- 417.11151 198.6
[M]+ 396.13629 193.9
[M]- 396.13739 193.9
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.