CID 1156967

482640-05-1

Structural Information

Molecular Formula
C20H24N4S
SMILES
CCN1C(=NN=C1SCC2=CC=C(C=C2)C(C)(C)C)C3=CC=NC=C3
InChI
InChI=1S/C20H24N4S/c1-5-24-18(16-10-12-21-13-11-16)22-23-19(24)25-14-15-6-8-17(9-7-15)20(2,3)4/h6-13H,5,14H2,1-4H3
InChIKey
PIASNQAKAMXOQL-UHFFFAOYSA-N
Compound name
4-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

352.17218 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.17946 186.8
[M+Na]+ 375.16140 201.9
[M+NH4]+ 370.20600 194.1
[M+K]+ 391.13534 193.4
[M-H]- 351.16490 191.1
[M+Na-2H]- 373.14685 195.8
[M]+ 352.17163 190.8
[M]- 352.17273 190.8
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

patents stripe