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

44
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 170.1
[M+Na]+ 326.12752 176.7
[M-H]- 302.13102 174.2
[M+NH4]+ 321.17212 182.5
[M+K]+ 342.10146 174.3
[M+H-H2O]+ 286.13556 159.3
[M+HCOO]- 348.13650 190.3
[M+CH3COO]- 362.15215 210.9
[M+Na-2H]- 324.11297 172.7
[M]+ 303.13775 172.0
[M]- 303.13885 172.0
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