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]+ 373.13288 186.4
[M+Na]+ 395.11482 195.8
[M-H]- 371.11832 194.7
[M+NH4]+ 390.15942 197.4
[M+K]+ 411.08876 192.2
[M+H-H2O]+ 355.12286 177.5
[M+HCOO]- 417.12380 205.2
[M+CH3COO]- 431.13945 215.1
[M+Na-2H]- 393.10027 185.4
[M]+ 372.12505 195.1
[M]- 372.12615 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.