CID 3049365

5-pyrimidineacetamide, 6-amino-2-(p-isopropoxybenzyl)-4-methyl-

Structural Information

Molecular Formula
C17H22N4O2
SMILES
CC1=C(C(=NC(=N1)CC2=CC=C(C=C2)OC(C)C)N)CC(=O)N
InChI
InChI=1S/C17H22N4O2/c1-10(2)23-13-6-4-12(5-7-13)8-16-20-11(3)14(9-15(18)22)17(19)21-16/h4-7,10H,8-9H2,1-3H3,(H2,18,22)(H2,19,20,21)
InChIKey
UDJGKGGFVWGZBH-UHFFFAOYSA-N
Compound name
2-[4-amino-6-methyl-2-[(4-propan-2-yloxyphenyl)methyl]pyrimidin-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1743 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.181576 177.6
[M+Na]+ 337.163518 184.5
[M-H]- 313.167024 181.2
[M+NH4]+ 332.208123 188.6
[M+K]+ 353.137458 180.4
[M+H-H2O]+ 297.171560 168.0
[M+HCOO]- 359.172501 197.7
[M+CH3COO]- 373.188151 215.1
[M+Na-2H]- 335.148966 177.7
[M]+ 314.17375142 177.9
[M]- 314.17484858 177.9
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.