CID 2034325

573698-36-9

Structural Information

Molecular Formula
C24H20N4O4S
SMILES
COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)CSC4=NN=C(N4CC=C)C5=CC=CO5
InChI
InChI=1S/C24H20N4O4S/c1-3-10-28-23(19-9-6-11-31-19)26-27-24(28)33-14-22(29)25-17-13-20-16(12-21(17)30-2)15-7-4-5-8-18(15)32-20/h3-9,11-13H,1,10,14H2,2H3,(H,25,29)
InChIKey
BGXGIIANUMAXGA-UHFFFAOYSA-N
Compound name
2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.1205 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.12778 207.2
[M+Na]+ 483.10972 221.8
[M+NH4]+ 478.15432 213.3
[M+K]+ 499.08366 218.6
[M-H]- 459.11322 214.3
[M+Na-2H]- 481.09517 212.5
[M]+ 460.11995 211.8
[M]- 460.12105 211.8
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.