CID 3049363

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

Structural Information

Molecular Formula
C15H18N4O2
SMILES
CC1=C(C(=NC(=N1)CC2=CC=C(C=C2)OC)N)CC(=O)N
InChI
InChI=1S/C15H18N4O2/c1-9-12(8-13(16)20)15(17)19-14(18-9)7-10-3-5-11(21-2)6-4-10/h3-6H,7-8H2,1-2H3,(H2,16,20)(H2,17,18,19)
InChIKey
XMELPKVOJZYFJO-UHFFFAOYSA-N
Compound name
2-[4-amino-2-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.14297 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.15025 168.6
[M+Na]+ 309.13219 176.6
[M-H]- 285.13569 172.4
[M+NH4]+ 304.17679 180.8
[M+K]+ 325.10613 172.4
[M+H-H2O]+ 269.14023 159.1
[M+HCOO]- 331.14117 190.3
[M+CH3COO]- 345.15682 208.2
[M+Na-2H]- 307.11764 170.9
[M]+ 286.14242 168.7
[M]- 286.14352 168.7
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.