CID 10193515

1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarboxamide

Structural Information

Molecular Formula
C20H23FN2O2
SMILES
CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C(=O)N)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H23FN2O2/c1-23(2)11-3-10-20(16-5-7-17(21)8-6-16)18-9-4-14(19(22)24)12-15(18)13-25-20/h4-9,12H,3,10-11,13H2,1-2H3,(H2,22,24)
InChIKey
LYYWQJNKWCANAC-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

30
Patents

342.17435 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.18163 182.9
[M+Na]+ 365.16357 189.3
[M-H]- 341.16707 190.5
[M+NH4]+ 360.20817 199.5
[M+K]+ 381.13751 186.5
[M+H-H2O]+ 325.17161 174.3
[M+HCOO]- 387.17255 203.8
[M+CH3COO]- 401.18820 220.3
[M+Na-2H]- 363.14902 184.2
[M]+ 342.17380 183.6
[M]- 342.17490 183.6
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