CID 10047296

2-(4-fluoro-phenyl)-5-isopropoxy-6-morpholin-4-yl-benzofuran-3-carboxylic acid methylamide

Structural Information

Molecular Formula
C23H25FN2O4
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)N4CCOCC4
InChI
InChI=1S/C23H25FN2O4/c1-14(2)29-20-12-17-19(13-18(20)26-8-10-28-11-9-26)30-22(21(17)23(27)25-3)15-4-6-16(24)7-5-15/h4-7,12-14H,8-11H2,1-3H3,(H,25,27)
InChIKey
UMWLCSKKWVHGOE-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-6-morpholin-4-yl-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

412.17984 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.18712 200.7
[M+Na]+ 435.16906 207.1
[M-H]- 411.17256 210.1
[M+NH4]+ 430.21366 209.3
[M+K]+ 451.14300 204.8
[M+H-H2O]+ 395.17710 190.3
[M+HCOO]- 457.17804 216.4
[M+CH3COO]- 471.19369 209.7
[M+Na-2H]- 433.15451 199.6
[M]+ 412.17929 202.6
[M]- 412.18039 202.6
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