CID 2386092

6-amino-1-benzyl-5-(propylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione

Structural Information

Molecular Formula
C14H18N4O2
SMILES
CCCNC1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N
InChI
InChI=1S/C14H18N4O2/c1-2-8-16-11-12(15)18(14(20)17-13(11)19)9-10-6-4-3-5-7-10/h3-7,16H,2,8-9,15H2,1H3,(H,17,19,20)
InChIKey
GNRVAJOIWMSZEM-UHFFFAOYSA-N
Compound name
6-amino-1-benzyl-5-(propylamino)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.14297 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.15025 163.4
[M+Na]+ 297.13219 172.0
[M-H]- 273.13569 166.4
[M+NH4]+ 292.17679 175.7
[M+K]+ 313.10613 166.2
[M+H-H2O]+ 257.14023 154.3
[M+HCOO]- 319.14117 185.7
[M+CH3COO]- 333.15682 201.9
[M+Na-2H]- 295.11764 167.9
[M]+ 274.14242 162.2
[M]- 274.14352 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.