CID 3331601

2-(4-ethyl-5-((3-methoxybenzyl)thio)-4h-1,2,4-triazol-3-yl)pyrazine

Structural Information

Molecular Formula
C16H17N5OS
SMILES
CCN1C(=NN=C1SCC2=CC(=CC=C2)OC)C3=NC=CN=C3
InChI
InChI=1S/C16H17N5OS/c1-3-21-15(14-10-17-7-8-18-14)19-20-16(21)23-11-12-5-4-6-13(9-12)22-2/h4-10H,3,11H2,1-2H3
InChIKey
KBRYGYFYJXGJMM-UHFFFAOYSA-N
Compound name
2-[4-ethyl-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.1154 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.12268 175.4
[M+Na]+ 350.10462 191.0
[M+NH4]+ 345.14922 182.2
[M+K]+ 366.07856 183.0
[M-H]- 326.10812 179.1
[M+Na-2H]- 348.09007 184.5
[M]+ 327.11485 179.2
[M]- 327.11595 179.2
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.