CID 3055421

72412-47-6

Structural Information

Molecular Formula
C18H22N4O2
SMILES
COC1=NC=NC=C1C(=O)NC2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C18H22N4O2/c1-24-18-16(11-19-13-20-18)17(23)21-15-7-9-22(10-8-15)12-14-5-3-2-4-6-14/h2-6,11,13,15H,7-10,12H2,1H3,(H,21,23)
InChIKey
LOQBSZZGANILFI-UHFFFAOYSA-N
Compound name
N-(1-benzylpiperidin-4-yl)-4-methoxypyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1743 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.181576 178.4
[M+Na]+ 349.163518 182.2
[M-H]- 325.167024 182.8
[M+NH4]+ 344.208123 186.9
[M+K]+ 365.137458 177.5
[M+H-H2O]+ 309.171560 166.3
[M+HCOO]- 371.172501 194.8
[M+CH3COO]- 385.188151 209.8
[M+Na-2H]- 347.148966 181.9
[M]+ 326.17375142 174.7
[M]- 326.17484858 174.7
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.