CID 10045214

Schembl2839095

Structural Information

Molecular Formula
C23H26N2O3
SMILES
CC(C)OC1=CC2=C(C=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)N4CCCC4
InChI
InChI=1S/C23H26N2O3/c1-15(2)27-18-10-11-20-19(14-18)21(23(26)24-3)22(28-20)16-6-8-17(9-7-16)25-12-4-5-13-25/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,24,26)
InChIKey
HGHKUNMTIFIZGK-UHFFFAOYSA-N
Compound name
N-methyl-5-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

378.19434 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.20162 192.2
[M+Na]+ 401.18356 198.3
[M-H]- 377.18706 202.7
[M+NH4]+ 396.22816 205.4
[M+K]+ 417.15750 195.0
[M+H-H2O]+ 361.19160 183.9
[M+HCOO]- 423.19254 212.2
[M+CH3COO]- 437.20819 202.5
[M+Na-2H]- 399.16901 190.3
[M]+ 378.19379 195.0
[M]- 378.19489 195.0
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