CID 16073245

Schembl2842088

Structural Information

Molecular Formula
C23H20FN3O3
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)C4=CN=CN=C4
InChI
InChI=1S/C23H20FN3O3/c1-13(2)29-19-9-18-20(8-17(19)15-10-26-12-27-11-15)30-22(21(18)23(28)25-3)14-4-6-16(24)7-5-14/h4-13H,1-3H3,(H,25,28)
InChIKey
GAEBRTNHVLKLAL-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6-pyrimidin-5-yl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

405.14886 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.15614 198.2
[M+Na]+ 428.13808 207.4
[M-H]- 404.14158 206.8
[M+NH4]+ 423.18268 207.2
[M+K]+ 444.11202 202.8
[M+H-H2O]+ 388.14612 186.6
[M+HCOO]- 450.14706 217.6
[M+CH3COO]- 464.16271 208.1
[M+Na-2H]- 426.12353 199.4
[M]+ 405.14831 202.7
[M]- 405.14941 202.7
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