CID 135407720

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

Structural Information

Molecular Formula
C15H20N4O
SMILES
C1=CC=C(C=C1)CC2=CC(=O)NC(=N2)NCCCCN
InChI
InChI=1S/C15H20N4O/c16-8-4-5-9-17-15-18-13(11-14(20)19-15)10-12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10,16H2,(H2,17,18,19,20)
InChIKey
ZGMGZKBEJUNDLS-UHFFFAOYSA-N
Compound name
2-(4-aminobutylamino)-4-benzyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1637 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.17098 163.5
[M+Na]+ 295.15292 169.7
[M-H]- 271.15642 165.5
[M+NH4]+ 290.19752 175.5
[M+K]+ 311.12686 163.6
[M+H-H2O]+ 255.16096 154.0
[M+HCOO]- 317.16190 185.3
[M+CH3COO]- 331.17755 200.9
[M+Na-2H]- 293.13837 169.3
[M]+ 272.16315 161.2
[M]- 272.16425 161.2
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.