CID 1982706

578753-21-6

Structural Information

Molecular Formula
C19H20N4O4S
SMILES
COC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CO3)OC
InChI
InChI=1S/C19H20N4O4S/c1-4-7-23-18(16-6-5-8-27-16)21-22-19(23)28-12-17(24)20-13-9-14(25-2)11-15(10-13)26-3/h4-6,8-11H,1,7,12H2,2-3H3,(H,20,24)
InChIKey
JJVJRLHYSISTAL-UHFFFAOYSA-N
Compound name
N-(3,5-dimethoxyphenyl)-2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.1205 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.12778 194.5
[M+Na]+ 423.10972 206.4
[M+NH4]+ 418.15432 199.1
[M+K]+ 439.08366 202.6
[M-H]- 399.11322 198.5
[M+Na-2H]- 421.09517 200.0
[M]+ 400.11995 197.6
[M]- 400.12105 197.6
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.