CID 44275754

Chembl28158

Structural Information

Molecular Formula
C19H24N4O2
SMILES
CC(=O)N1CCC(CC1)C2=NC(=NC(=C2)CC3=CC=C(C=C3)OC)N
InChI
InChI=1S/C19H24N4O2/c1-13(24)23-9-7-15(8-10-23)18-12-16(21-19(20)22-18)11-14-3-5-17(25-2)6-4-14/h3-6,12,15H,7-11H2,1-2H3,(H2,20,21,22)
InChIKey
XLSJWBRYNNUEBR-UHFFFAOYSA-N
Compound name
1-[4-[2-amino-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]piperidin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

340.1899 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.19718 185.0
[M+Na]+ 363.17912 190.3
[M-H]- 339.18262 189.6
[M+NH4]+ 358.22372 193.3
[M+K]+ 379.15306 185.1
[M+H-H2O]+ 323.18716 173.3
[M+HCOO]- 385.18810 200.5
[M+CH3COO]- 399.20375 214.7
[M+Na-2H]- 361.16457 185.4
[M]+ 340.18935 181.6
[M]- 340.19045 181.6
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

No patent data available for this compound.