CID 16073409

Schembl2839308

Structural Information

Molecular Formula
C21H19FN2O4
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OC)C3CC(=O)NC3)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H19FN2O4/c1-23-21(26)19-15-9-16(27-2)14(12-7-18(25)24-10-12)8-17(15)28-20(19)11-3-5-13(22)6-4-11/h3-6,8-9,12H,7,10H2,1-2H3,(H,23,26)(H,24,25)
InChIKey
NAVOOCAEHLITFK-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5-methoxy-N-methyl-6-(5-oxopyrrolidin-3-yl)-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

382.13287 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.14015 188.1
[M+Na]+ 405.12209 196.9
[M-H]- 381.12559 197.1
[M+NH4]+ 400.16669 201.0
[M+K]+ 421.09603 192.4
[M+H-H2O]+ 365.13013 179.8
[M+HCOO]- 427.13107 207.6
[M+CH3COO]- 441.14672 198.8
[M+Na-2H]- 403.10754 186.3
[M]+ 382.13232 189.8
[M]- 382.13342 189.8
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

patents stripe