CID 3149363

N-(3,5-dimethoxyphenyl)-2-{[5-(furan-2-yl)-4-methyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetamide

Structural Information

Molecular Formula
C17H18N4O4S
SMILES
CN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)OC)OC)C3=CC=CO3
InChI
InChI=1S/C17H18N4O4S/c1-21-16(14-5-4-6-25-14)19-20-17(21)26-10-15(22)18-11-7-12(23-2)9-13(8-11)24-3/h4-9H,10H2,1-3H3,(H,18,22)
InChIKey
ISUVUMVLDSWXCI-UHFFFAOYSA-N
Compound name
N-(3,5-dimethoxyphenyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1049 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.11218 186.4
[M+Na]+ 397.09412 198.7
[M+NH4]+ 392.13872 191.6
[M+K]+ 413.06806 195.5
[M-H]- 373.09762 190.8
[M+Na-2H]- 395.07957 192.4
[M]+ 374.10435 189.7
[M]- 374.10545 189.7
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.