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

31
Patents

303.1383 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.145576 170.1
[M+Na]+ 326.127518 176.7
[M-H]- 302.131024 174.2
[M+NH4]+ 321.172123 182.5
[M+K]+ 342.101458 174.3
[M+H-H2O]+ 286.135560 159.3
[M+HCOO]- 348.136501 190.3
[M+CH3COO]- 362.152151 210.9
[M+Na-2H]- 324.112966 172.7
[M]+ 303.13775142 172.0
[M]- 303.13884858 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