CID 3049364

Brn 0826040

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]+ 301.16591 173.0
[M+Na]+ 323.14785 180.6
[M-H]- 299.15135 176.6
[M+NH4]+ 318.19245 184.6
[M+K]+ 339.12179 176.1
[M+H-H2O]+ 283.15589 163.3
[M+HCOO]- 345.15683 194.4
[M+CH3COO]- 359.17248 211.2
[M+Na-2H]- 321.13330 174.8
[M]+ 300.15808 173.5
[M]- 300.15918 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.