CID 3049364

5-pyrimidineacetamide, 6-amino-2-(4-ethoxybenzyl)-4-methyl-

Structural Information

Molecular Formula
C16H20N4O2
SMILES
CCOC1=CC=C(C=C1)CC2=NC(=C(C(=N2)N)CC(=O)N)C
InChI
InChI=1S/C16H20N4O2/c1-3-22-12-6-4-11(5-7-12)8-15-19-10(2)13(9-14(17)21)16(18)20-15/h4-7H,3,8-9H2,1-2H3,(H2,17,21)(H2,18,19,20)
InChIKey
JLTBWDJRZBQMBT-UHFFFAOYSA-N
Compound name
2-[4-amino-2-[(4-ethoxyphenyl)methyl]-6-methylpyrimidin-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.15863 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.165906 173.0
[M+Na]+ 323.147848 180.6
[M-H]- 299.151354 176.6
[M+NH4]+ 318.192453 184.6
[M+K]+ 339.121788 176.1
[M+H-H2O]+ 283.155890 163.3
[M+HCOO]- 345.156831 194.4
[M+CH3COO]- 359.172481 211.2
[M+Na-2H]- 321.133296 174.8
[M]+ 300.15808142 173.5
[M]- 300.15917858 173.5
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.