CID 1071793

557063-66-8

Structural Information

Molecular Formula
C19H21N5O2S
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OCC)C3=CC=NC=C3
InChI
InChI=1S/C19H21N5O2S/c1-3-24-18(14-9-11-20-12-10-14)22-23-19(24)27-13-17(25)21-15-7-5-6-8-16(15)26-4-2/h5-12H,3-4,13H2,1-2H3,(H,21,25)
InChIKey
IHFBAWVZBOPYLK-UHFFFAOYSA-N
Compound name
N-(2-ethoxyphenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1416 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.14888 189.7
[M+Na]+ 406.13082 202.8
[M+NH4]+ 401.17542 195.3
[M+K]+ 422.10476 195.7
[M-H]- 382.13432 193.5
[M+Na-2H]- 404.11627 197.6
[M]+ 383.14105 193.0
[M]- 383.14215 193.0
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.