CID 3088556

N-(5-uracyl)methyl-2-phenylisopropylamine hydrochloride

Structural Information

Molecular Formula
C14H17N3O2
SMILES
CC(CC1=CC=CC=C1)NCC2=CNC(=O)NC2=O
InChI
InChI=1S/C14H17N3O2/c1-10(7-11-5-3-2-4-6-11)15-8-12-9-16-14(19)17-13(12)18/h2-6,9-10,15H,7-8H2,1H3,(H2,16,17,18,19)
InChIKey
OERNSTXKINHIOJ-UHFFFAOYSA-N
Compound name
5-[(1-phenylpropan-2-ylamino)methyl]-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.13208 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13936 158.8
[M+Na]+ 282.12130 165.7
[M-H]- 258.12480 160.3
[M+NH4]+ 277.16590 171.0
[M+K]+ 298.09524 159.9
[M+H-H2O]+ 242.12934 150.0
[M+HCOO]- 304.13028 178.3
[M+CH3COO]- 318.14593 193.3
[M+Na-2H]- 280.10675 163.9
[M]+ 259.13153 156.1
[M]- 259.13263 156.1
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.