CID 16073220

Schembl2841789

Structural Information

Molecular Formula
C24H23FN2O4
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)NCC4=COC=C4
InChI
InChI=1S/C24H23FN2O4/c1-14(2)30-21-10-18-20(11-19(21)27-12-15-8-9-29-13-15)31-23(22(18)24(28)26-3)16-4-6-17(25)7-5-16/h4-11,13-14,27H,12H2,1-3H3,(H,26,28)
InChIKey
DPJQVOSAYMBAJU-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-6-(furan-3-ylmethylamino)-N-methyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

422.16418 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.17146 203.0
[M+Na]+ 445.15340 210.7
[M-H]- 421.15690 215.1
[M+NH4]+ 440.19800 214.4
[M+K]+ 461.12734 208.4
[M+H-H2O]+ 405.16144 194.6
[M+HCOO]- 467.16238 225.9
[M+CH3COO]- 481.17803 232.7
[M+Na-2H]- 443.13885 202.6
[M]+ 422.16363 209.4
[M]- 422.16473 209.4
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