CID 44423944

Chembl226249

Structural Information

Molecular Formula
C15H20N4O
SMILES
C1=CC=C(C=C1)C2=C(N=C(N=C2N)N)CCCCCO
InChI
InChI=1S/C15H20N4O/c16-14-13(11-7-3-1-4-8-11)12(18-15(17)19-14)9-5-2-6-10-20/h1,3-4,7-8,20H,2,5-6,9-10H2,(H4,16,17,18,19)
InChIKey
LCDBUWHSZBBBMI-UHFFFAOYSA-N
Compound name
5-(2,6-diamino-5-phenylpyrimidin-4-yl)pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.1637 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.17098 165.4
[M+Na]+ 295.15292 172.3
[M-H]- 271.15642 167.3
[M+NH4]+ 290.19752 177.5
[M+K]+ 311.12686 166.5
[M+H-H2O]+ 255.16096 156.1
[M+HCOO]- 317.16190 186.3
[M+CH3COO]- 331.17755 202.3
[M+Na-2H]- 293.13837 169.3
[M]+ 272.16315 163.3
[M]- 272.16425 163.3
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.