CID 1994983

579443-87-1

Structural Information

Molecular Formula
C19H22N6OS
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(C)C)C3=NC=CN=C3
InChI
InChI=1S/C19H22N6OS/c1-4-25-18(16-11-20-9-10-21-16)23-24-19(25)27-12-17(26)22-15-8-6-5-7-14(15)13(2)3/h5-11,13H,4,12H2,1-3H3,(H,22,26)
InChIKey
UNKBYNDURXONGV-UHFFFAOYSA-N
Compound name
2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.1576 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.16488 190.4
[M+Na]+ 405.14682 198.4
[M-H]- 381.15032 194.5
[M+NH4]+ 400.19142 197.5
[M+K]+ 421.12076 191.7
[M+H-H2O]+ 365.15486 179.5
[M+HCOO]- 427.15580 203.3
[M+CH3COO]- 441.17145 198.8
[M+Na-2H]- 403.13227 189.4
[M]+ 382.15705 194.2
[M]- 382.15815 194.2
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.