CID 16073488

Schembl2835892

Structural Information

Molecular Formula
C19H19FN2O3
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OC)N(C)C)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H19FN2O3/c1-21-19(23)17-13-9-16(24-4)14(22(2)3)10-15(13)25-18(17)11-5-7-12(20)8-6-11/h5-10H,1-4H3,(H,21,23)
InChIKey
YPPKPNXKGBHTDX-UHFFFAOYSA-N
Compound name
6-(dimethylamino)-2-(4-fluorophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

342.13797 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14525 180.8
[M+Na]+ 365.12719 190.3
[M-H]- 341.13069 190.5
[M+NH4]+ 360.17179 196.3
[M+K]+ 381.10113 188.3
[M+H-H2O]+ 325.13523 172.0
[M+HCOO]- 387.13617 205.6
[M+CH3COO]- 401.15182 221.9
[M+Na-2H]- 363.11264 183.1
[M]+ 342.13742 186.9
[M]- 342.13852 186.9
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

patents stripe