CID 16073500

Schembl2839078

Structural Information

Molecular Formula
C20H16FN3O5
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OC)C3C(=O)NC(=O)N3)C4=CC=C(C=C4)F
InChI
InChI=1S/C20H16FN3O5/c1-22-18(25)15-11-7-13(28-2)12(16-19(26)24-20(27)23-16)8-14(11)29-17(15)9-3-5-10(21)6-4-9/h3-8,16H,1-2H3,(H,22,25)(H2,23,24,26,27)
InChIKey
DMTCQDYUCQFKRG-UHFFFAOYSA-N
Compound name
6-(2,5-dioxoimidazolidin-4-yl)-2-(4-fluorophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

397.1074 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.11468 190.1
[M+Na]+ 420.09662 199.6
[M-H]- 396.10012 197.0
[M+NH4]+ 415.14122 200.3
[M+K]+ 436.07056 194.6
[M+H-H2O]+ 380.10466 181.5
[M+HCOO]- 442.10560 207.3
[M+CH3COO]- 456.12125 220.2
[M+Na-2H]- 418.08207 187.8
[M]+ 397.10685 191.3
[M]- 397.10795 191.3
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