CID 132213031

2169923-02-6

Structural Information

Molecular Formula
C16H18FN3O2
SMILES
CCN(C(C)C)C(=O)C1=C(C=CC(=C1)F)OC2=CN=CN=C2
InChI
InChI=1S/C16H18FN3O2/c1-4-20(11(2)3)16(21)14-7-12(17)5-6-15(14)22-13-8-18-10-19-9-13/h5-11H,4H2,1-3H3
InChIKey
URSYWWAENVBPAE-UHFFFAOYSA-N
Compound name
N-ethyl-5-fluoro-N-propan-2-yl-2-pyrimidin-5-yloxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

303.1383 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.14558 169.9
[M+Na]+ 326.12752 181.9
[M+NH4]+ 321.17212 175.7
[M+K]+ 342.10146 176.3
[M-H]- 302.13102 171.6
[M+Na-2H]- 324.11297 177.1
[M]+ 303.13775 171.9
[M]- 303.13885 171.9
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