CID 2034282

573698-19-8

Structural Information

Molecular Formula
C24H22N4O3S
SMILES
C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CO4
InChI
InChI=1S/C24H22N4O3S/c1-2-14-28-23(21-9-6-15-30-21)26-27-24(28)32-17-22(29)25-19-10-12-20(13-11-19)31-16-18-7-4-3-5-8-18/h2-13,15H,1,14,16-17H2,(H,25,29)
InChIKey
HMTIQNNTOTXJFD-UHFFFAOYSA-N
Compound name
2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.14127 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.14855 205.9
[M+Na]+ 469.13049 214.1
[M-H]- 445.13399 216.8
[M+NH4]+ 464.17509 213.2
[M+K]+ 485.10443 208.4
[M+H-H2O]+ 429.13853 195.8
[M+HCOO]- 491.13947 224.2
[M+CH3COO]- 505.15512 215.2
[M+Na-2H]- 467.11594 204.2
[M]+ 446.14072 213.2
[M]- 446.14182 213.2
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.