CID 135456710

4-benzyl-2-(4-hydroxybutylamino)-1h-pyrimidin-6-one

Structural Information

Molecular Formula
C15H19N3O2
SMILES
C1=CC=C(C=C1)CC2=CC(=O)NC(=N2)NCCCCO
InChI
InChI=1S/C15H19N3O2/c19-9-5-4-8-16-15-17-13(11-14(20)18-15)10-12-6-2-1-3-7-12/h1-3,6-7,11,19H,4-5,8-10H2,(H2,16,17,18,20)
InChIKey
ODTJYSABNLVOOU-UHFFFAOYSA-N
Compound name
4-benzyl-2-(4-hydroxybutylamino)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.14774 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.15502 163.3
[M+Na]+ 296.13696 169.7
[M-H]- 272.14046 164.4
[M+NH4]+ 291.18156 175.0
[M+K]+ 312.11090 163.8
[M+H-H2O]+ 256.14500 154.1
[M+HCOO]- 318.14594 183.3
[M+CH3COO]- 332.16159 196.0
[M+Na-2H]- 294.12241 169.1
[M]+ 273.14719 162.2
[M]- 273.14829 162.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.