CID 10454232

Schembl2840686

Structural Information

Molecular Formula
C24H27FN2O3
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)N4CCCCC4
InChI
InChI=1S/C24H27FN2O3/c1-15(2)29-21-13-18-20(14-19(21)27-11-5-4-6-12-27)30-23(22(18)24(28)26-3)16-7-9-17(25)10-8-16/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,26,28)
InChIKey
XGANWIMAAQJNMP-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-6-piperidin-1-yl-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

410.20056 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.20784 200.6
[M+Na]+ 433.18978 206.4
[M-H]- 409.19328 209.1
[M+NH4]+ 428.23438 210.7
[M+K]+ 449.16372 202.3
[M+H-H2O]+ 393.19782 189.9
[M+HCOO]- 455.19876 216.8
[M+CH3COO]- 469.21441 228.9
[M+Na-2H]- 431.17523 198.5
[M]+ 410.20001 200.7
[M]- 410.20111 200.7
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