CID 16073177

Schembl2835189

Structural Information

Molecular Formula
C22H25FN2O4
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)NCCOC
InChI
InChI=1S/C22H25FN2O4/c1-13(2)28-19-11-16-18(12-17(19)25-9-10-27-4)29-21(20(16)22(26)24-3)14-5-7-15(23)8-6-14/h5-8,11-13,25H,9-10H2,1-4H3,(H,24,26)
InChIKey
ZFTWRTZSFOXIGP-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-6-(2-methoxyethylamino)-N-methyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

400.17984 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.18712 197.6
[M+Na]+ 423.16906 205.0
[M-H]- 399.17256 205.3
[M+NH4]+ 418.21366 209.9
[M+K]+ 439.14300 202.3
[M+H-H2O]+ 383.17710 188.2
[M+HCOO]- 445.17804 220.0
[M+CH3COO]- 459.19369 230.6
[M+Na-2H]- 421.15451 198.0
[M]+ 400.17929 204.2
[M]- 400.18039 204.2
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