CID 16286907

877950-01-1

Structural Information

Molecular Formula
C24H17N3O5
SMILES
C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)COC(=O)CC3=COC4=C3C5=CC=CC=C5C=C4
InChI
InChI=1S/C24H17N3O5/c28-20(25-24-27-26-23(32-24)16-7-2-1-3-8-16)14-31-21(29)12-17-13-30-19-11-10-15-6-4-5-9-18(15)22(17)19/h1-11,13H,12,14H2,(H,25,27,28)
InChIKey
KNJXREYSQNBQEX-UHFFFAOYSA-N
Compound name
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

427.11682 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.12410 197.5
[M+Na]+ 450.10604 206.3
[M-H]- 426.10954 209.4
[M+NH4]+ 445.15064 206.4
[M+K]+ 466.07998 203.9
[M+H-H2O]+ 410.11408 188.1
[M+HCOO]- 472.11502 219.0
[M+CH3COO]- 486.13067 208.1
[M+Na-2H]- 448.09149 201.5
[M]+ 427.11627 206.0
[M]- 427.11737 206.0
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

patents stripe