CID 135429838

2-amino-5-(3-aminopropyl)-6-phenyl-4-pyrimidinol

Structural Information

Molecular Formula
C13H16N4O
SMILES
C1=CC=C(C=C1)C2=C(C(=O)NC(=N2)N)CCCN
InChI
InChI=1S/C13H16N4O/c14-8-4-7-10-11(9-5-2-1-3-6-9)16-13(15)17-12(10)18/h1-3,5-6H,4,7-8,14H2,(H3,15,16,17,18)
InChIKey
MGMOJOXTRYQASQ-UHFFFAOYSA-N
Compound name
2-amino-5-(3-aminopropyl)-4-phenyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

244.13242 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.13970 156.3
[M+Na]+ 267.12164 164.4
[M-H]- 243.12514 158.6
[M+NH4]+ 262.16624 169.5
[M+K]+ 283.09558 158.4
[M+H-H2O]+ 227.12968 147.4
[M+HCOO]- 289.13062 178.1
[M+CH3COO]- 303.14627 195.6
[M+Na-2H]- 265.10709 161.2
[M]+ 244.13187 152.7
[M]- 244.13297 152.7
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.