CID 65389180

Ml340

Structural Information

Molecular Formula
C17H20N4O
SMILES
CC1CCN(CC1)C2=NC=NC(=C2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H20N4O/c1-13-7-9-21(10-8-13)16-11-15(18-12-19-16)20-17(22)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,18,19,20,22)
InChIKey
QUWAUKDDNKSIJN-UHFFFAOYSA-N
Compound name
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

19
Patents

296.1637 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.170976 171.4
[M+Na]+ 319.152918 175.9
[M-H]- 295.156424 176.0
[M+NH4]+ 314.197523 181.2
[M+K]+ 335.126858 170.7
[M+H-H2O]+ 279.160960 159.7
[M+HCOO]- 341.161901 188.0
[M+CH3COO]- 355.177551 180.2
[M+Na-2H]- 317.138366 175.4
[M]+ 296.16315142 166.1
[M]- 296.16424858 166.1
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

No patent data available for this compound.