CID 3055426

5-pyrimidinecarboxamide, n-(1-benzyl-4-piperidyl)-4-methoxy-2-methyl-, maleate

Structural Information

Molecular Formula
C19H24N4O2
SMILES
CC1=NC=C(C(=N1)OC)C(=O)NC2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C19H24N4O2/c1-14-20-12-17(19(21-14)25-2)18(24)22-16-8-10-23(11-9-16)13-15-6-4-3-5-7-15/h3-7,12,16H,8-11,13H2,1-2H3,(H,22,24)
InChIKey
OGQOYBFWTAHTLT-UHFFFAOYSA-N
Compound name
N-(1-benzylpiperidin-4-yl)-4-methoxy-2-methylpyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1899 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.197176 183.6
[M+Na]+ 363.179118 187.9
[M-H]- 339.182624 188.2
[M+NH4]+ 358.223723 191.8
[M+K]+ 379.153058 183.0
[M+H-H2O]+ 323.187160 171.5
[M+HCOO]- 385.188101 199.7
[M+CH3COO]- 399.203751 214.0
[M+Na-2H]- 361.164566 185.8
[M]+ 340.18935142 180.7
[M]- 340.19044858 180.7
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.