CID 5011372

573948-03-5

Structural Information

Molecular Formula
C18H20N6O2S
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OCC)C3=NC=CN=C3
InChI
InChI=1S/C18H20N6O2S/c1-3-24-17(15-11-19-9-10-20-15)22-23-18(24)27-12-16(25)21-13-5-7-14(8-6-13)26-4-2/h5-11H,3-4,12H2,1-2H3,(H,21,25)
InChIKey
OBSKENUQLJHPBW-UHFFFAOYSA-N
Compound name
N-(4-ethoxyphenyl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.13684 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.14412 188.7
[M+Na]+ 407.12606 201.7
[M+NH4]+ 402.17066 193.6
[M+K]+ 423.10000 195.2
[M-H]- 383.12956 191.6
[M+Na-2H]- 405.11151 196.4
[M]+ 384.13629 191.6
[M]- 384.13739 191.6
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.