CID 662101

618879-93-9

Structural Information

Molecular Formula
C19H20N4O3S
SMILES
CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CO3
InChI
InChI=1S/C19H20N4O3S/c1-4-9-23-18(16-6-5-10-26-16)21-22-19(23)27-12-17(24)20-14-11-13(2)7-8-15(14)25-3/h4-8,10-11H,1,9,12H2,2-3H3,(H,20,24)
InChIKey
IGBXTPWQQQXHRW-UHFFFAOYSA-N
Compound name
2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

384.1256 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.13288 191.3
[M+Na]+ 407.11482 203.8
[M+NH4]+ 402.15942 196.6
[M+K]+ 423.08876 199.4
[M-H]- 383.11832 195.9
[M+Na-2H]- 405.10027 197.2
[M]+ 384.12505 194.7
[M]- 384.12615 194.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.