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 185.4
[M+Na]+ 397.09412 195.7
[M-H]- 373.09762 194.3
[M+NH4]+ 392.13872 196.5
[M+K]+ 413.06806 192.9
[M+H-H2O]+ 357.10216 176.9
[M+HCOO]- 419.10310 204.7
[M+CH3COO]- 433.11875 215.6
[M+Na-2H]- 395.07957 184.4
[M]+ 374.10435 195.5
[M]- 374.10545 195.5
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.