CID 1071848

557069-67-7

Structural Information

Molecular Formula
C18H20N4O3S
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OCC)C3=CC=CO3
InChI
InChI=1S/C18H20N4O3S/c1-3-22-17(15-6-5-11-25-15)20-21-18(22)26-12-16(23)19-13-7-9-14(10-8-13)24-4-2/h5-11H,3-4,12H2,1-2H3,(H,19,23)
InChIKey
ONLVQHFJZQEGFC-UHFFFAOYSA-N
Compound name
N-(4-ethoxyphenyl)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1256 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.132876 186.4
[M+Na]+ 395.114818 195.8
[M-H]- 371.118324 194.7
[M+NH4]+ 390.159423 197.4
[M+K]+ 411.088758 192.2
[M+H-H2O]+ 355.122860 177.5
[M+HCOO]- 417.123801 205.2
[M+CH3COO]- 431.139451 215.1
[M+Na-2H]- 393.100266 185.4
[M]+ 372.12505142 195.1
[M]- 372.12614858 195.1
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.