CID 3049446

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

Structural Information

Molecular Formula
C17H22N4O2
SMILES
CCCOC1=CC=C(C=C1)CC2=NC(=C(C(=N2)N)CC(=O)N)C
InChI
InChI=1S/C17H22N4O2/c1-3-8-23-13-6-4-12(5-7-13)9-16-20-11(2)14(10-15(18)22)17(19)21-16/h4-7H,3,8-10H2,1-2H3,(H2,18,22)(H2,19,20,21)
InChIKey
JOBRQLBUMUBXTR-UHFFFAOYSA-N
Compound name
2-[4-amino-6-methyl-2-[(4-propoxyphenyl)methyl]pyrimidin-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1743 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.181576 177.4
[M+Na]+ 337.163518 184.5
[M-H]- 313.167024 180.8
[M+NH4]+ 332.208123 188.5
[M+K]+ 353.137458 179.9
[M+H-H2O]+ 297.171560 167.5
[M+HCOO]- 359.172501 198.5
[M+CH3COO]- 373.188151 214.2
[M+Na-2H]- 335.148966 178.7
[M]+ 314.17375142 178.2
[M]- 314.17484858 178.2
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.