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]+ 341.197176 185.0
[M+Na]+ 363.179118 190.3
[M-H]- 339.182624 189.6
[M+NH4]+ 358.223723 193.3
[M+K]+ 379.153058 185.1
[M+H-H2O]+ 323.187160 173.3
[M+HCOO]- 385.188101 200.5
[M+CH3COO]- 399.203751 214.7
[M+Na-2H]- 361.164566 185.4
[M]+ 340.18935142 181.6
[M]- 340.19044858 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.