CID 71488522

Mefuparib hydrochloride

Structural Information

Molecular Formula
C17H15FN2O2
SMILES
CNCC1=CC=C(C=C1)C2=CC3=CC(=CC(=C3O2)C(=O)N)F
InChI
InChI=1S/C17H15FN2O2/c1-20-9-10-2-4-11(5-3-10)15-7-12-6-13(18)8-14(17(19)21)16(12)22-15/h2-8,20H,9H2,1H3,(H2,19,21)
InChIKey
ROBJKLPZIPNAMV-UHFFFAOYSA-N
Compound name
5-fluoro-2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

130
Patents

298.11176 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11904 167.6
[M+Na]+ 321.10098 177.3
[M-H]- 297.10448 175.4
[M+NH4]+ 316.14558 183.9
[M+K]+ 337.07492 173.1
[M+H-H2O]+ 281.10902 159.4
[M+HCOO]- 343.10996 192.0
[M+CH3COO]- 357.12561 209.3
[M+Na-2H]- 319.08643 171.4
[M]+ 298.11121 169.2
[M]- 298.11231 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe