CID 1156929

482639-64-5

Structural Information

Molecular Formula
C19H21N5OS
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C)C)C3=CC=NC=C3
InChI
InChI=1S/C19H21N5OS/c1-4-24-18(15-7-9-20-10-8-15)22-23-19(24)26-12-17(25)21-16-6-5-13(2)14(3)11-16/h5-11H,4,12H2,1-3H3,(H,21,25)
InChIKey
OLWSMGMVPKIKKD-UHFFFAOYSA-N
Compound name
N-(3,4-dimethylphenyl)-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

367.14667 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.15395 187.5
[M+Na]+ 390.13589 201.4
[M+NH4]+ 385.18049 193.7
[M+K]+ 406.10983 193.9
[M-H]- 366.13939 191.8
[M+Na-2H]- 388.12134 195.5
[M]+ 367.14612 191.1
[M]- 367.14722 191.1
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.