CID 10432716

Schembl2844919

Structural Information

Molecular Formula
C23H25FN2O5
SMILES
CC(COC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)N4CCOCC4)O
InChI
InChI=1S/C23H25FN2O5/c1-14(27)13-30-20-11-17-19(12-18(20)26-7-9-29-10-8-26)31-22(21(17)23(28)25-2)15-3-5-16(24)6-4-15/h3-6,11-12,14,27H,7-10,13H2,1-2H3,(H,25,28)
InChIKey
HTGFCIKWNGCQCM-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5-(2-hydroxypropoxy)-N-methyl-6-morpholin-4-yl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

428.17474 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.18202 202.8
[M+Na]+ 451.16396 208.4
[M-H]- 427.16746 210.8
[M+NH4]+ 446.20856 209.9
[M+K]+ 467.13790 206.2
[M+H-H2O]+ 411.17200 192.5
[M+HCOO]- 473.17294 217.2
[M+CH3COO]- 487.18859 228.8
[M+Na-2H]- 449.14941 201.7
[M]+ 428.17419 204.4
[M]- 428.17529 204.4
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