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 189.0
[M+Na]+ 407.12606 197.5
[M-H]- 383.12956 193.1
[M+NH4]+ 402.17066 196.0
[M+K]+ 423.10000 191.1
[M+H-H2O]+ 367.13410 177.9
[M+HCOO]- 429.13504 203.4
[M+CH3COO]- 443.15069 197.7
[M+Na-2H]- 405.11151 189.6
[M]+ 384.13629 194.2
[M]- 384.13739 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.