CID 9974714

Schembl2842534

Structural Information

Molecular Formula
C19H18FNO4
SMILES
CC(C)OC1=CC2=C(C=C1)OC(=C2C(=O)NC)C3=CC(=C(C=C3)F)O
InChI
InChI=1S/C19H18FNO4/c1-10(2)24-12-5-7-16-13(9-12)17(19(23)21-3)18(25-16)11-4-6-14(20)15(22)8-11/h4-10,22H,1-3H3,(H,21,23)
InChIKey
FABZIGYZLQZMTC-UHFFFAOYSA-N
Compound name
2-(4-fluoro-3-hydroxyphenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

343.12198 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.12926 179.3
[M+Na]+ 366.11120 188.6
[M-H]- 342.11470 186.4
[M+NH4]+ 361.15580 193.7
[M+K]+ 382.08514 185.7
[M+H-H2O]+ 326.11924 171.4
[M+HCOO]- 388.12018 200.3
[M+CH3COO]- 402.13583 214.3
[M+Na-2H]- 364.09665 180.4
[M]+ 343.12143 183.9
[M]- 343.12253 183.9
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

No patent data available for this compound.