CID 1987633

577789-78-7

Structural Information

Molecular Formula
C19H22N6OS
SMILES
CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2C)C)C)C3=NC=CN=C3
InChI
InChI=1S/C19H22N6OS/c1-5-25-18(15-10-20-6-7-21-15)23-24-19(25)27-11-16(26)22-17-13(3)8-12(2)9-14(17)4/h6-10H,5,11H2,1-4H3,(H,22,26)
InChIKey
QUGRRGNBXDACPV-UHFFFAOYSA-N
Compound name
2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.1576 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.16488 192.1
[M+Na]+ 405.14682 206.1
[M+NH4]+ 400.19142 197.4
[M+K]+ 421.12076 199.1
[M-H]- 381.15032 195.7
[M+Na-2H]- 403.13227 199.3
[M]+ 382.15705 195.5
[M]- 382.15815 195.5
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.