CID 9863367

193746-75-7

Structural Information

Molecular Formula
C19H20FN5O
SMILES
COC1=NC=CC(=N1)C2=C(N=CN2C3CCNCC3)C4=CC=C(C=C4)F
InChI
InChI=1S/C19H20FN5O/c1-26-19-22-11-8-16(24-19)18-17(13-2-4-14(20)5-3-13)23-12-25(18)15-6-9-21-10-7-15/h2-5,8,11-12,15,21H,6-7,9-10H2,1H3
InChIKey
PDTYLGXVBIWRIM-UHFFFAOYSA-N
Compound name
4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-methoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

25
References

175
Patents

353.1652 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17248 186.5
[M+Na]+ 376.15442 200.5
[M+NH4]+ 371.19902 192.1
[M+K]+ 392.12836 194.8
[M-H]- 352.15792 189.9
[M+Na-2H]- 374.13987 195.1
[M]+ 353.16465 189.3
[M]- 353.16575 189.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe