CID 486515

Schembl5623959

Structural Information

Molecular Formula
C23H16ClNO4
SMILES
C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Cl)C(=O)C3=CC4=CC=CC=C4O3
InChI
InChI=1S/C23H16ClNO4/c24-16-10-11-20(28-14-22(26)25-17-7-2-1-3-8-17)18(13-16)23(27)21-12-15-6-4-5-9-19(15)29-21/h1-13H,14H2,(H,25,26)
InChIKey
IUIXYTQGJCFJMN-UHFFFAOYSA-N
Compound name
2-[2-(1-benzofuran-2-carbonyl)-4-chlorophenoxy]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

405.07678 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.08406 195.5
[M+Na]+ 428.06600 203.9
[M-H]- 404.06950 207.3
[M+NH4]+ 423.11060 207.6
[M+K]+ 444.03994 199.0
[M+H-H2O]+ 388.07404 186.9
[M+HCOO]- 450.07498 214.5
[M+CH3COO]- 464.09063 206.4
[M+Na-2H]- 426.05145 198.4
[M]+ 405.07623 202.5
[M]- 405.07733 202.5
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

patents stripe