CID 16073196

Schembl2841380

Structural Information

Molecular Formula
C23H23FN2O4
SMILES
CC(=O)N1CCCC1C2=C(C=C3C(=C2)OC(=C3C(=O)NC)C4=CC=C(C=C4)F)OC
InChI
InChI=1S/C23H23FN2O4/c1-13(27)26-10-4-5-18(26)16-11-20-17(12-19(16)29-3)21(23(28)25-2)22(30-20)14-6-8-15(24)9-7-14/h6-9,11-12,18H,4-5,10H2,1-3H3,(H,25,28)
InChIKey
XYCAPJUCPIKYFM-UHFFFAOYSA-N
Compound name
6-(1-acetylpyrrolidin-2-yl)-2-(4-fluorophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

410.16418 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.17146 197.8
[M+Na]+ 433.15340 205.9
[M-H]- 409.15690 207.9
[M+NH4]+ 428.19800 210.2
[M+K]+ 449.12734 202.4
[M+H-H2O]+ 393.16144 189.1
[M+HCOO]- 455.16238 217.1
[M+CH3COO]- 469.17803 227.7
[M+Na-2H]- 431.13885 194.2
[M]+ 410.16363 201.2
[M]- 410.16473 201.2
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