CID 1951196

577983-85-8

Structural Information

Molecular Formula
C19H21N5OS
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)C)C)C3=CC=CC=N3
InChI
InChI=1S/C19H21N5OS/c1-4-24-18(16-7-5-6-8-20-16)22-23-19(24)26-12-17(25)21-15-10-13(2)9-14(3)11-15/h5-11H,4,12H2,1-3H3,(H,21,25)
InChIKey
GOPLQZUFVUAZGH-UHFFFAOYSA-N
Compound name
N-(3,5-dimethylphenyl)-2-[(4-ethyl-5-pyridin-2-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 187.9
[M+Na]+ 390.13589 197.1
[M-H]- 366.13939 193.4
[M+NH4]+ 385.18049 197.3
[M+K]+ 406.10983 190.1
[M+H-H2O]+ 350.14393 177.5
[M+HCOO]- 412.14487 203.0
[M+CH3COO]- 426.16052 197.4
[M+Na-2H]- 388.12134 186.9
[M]+ 367.14612 192.1
[M]- 367.14722 192.1
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.