CID 3813450

733759-46-1

Structural Information

Molecular Formula
C12H22N4O2
SMILES
CCCCNC1=C(N(C(=O)NC1=O)CC(C)C)N
InChI
InChI=1S/C12H22N4O2/c1-4-5-6-14-9-10(13)16(7-8(2)3)12(18)15-11(9)17/h8,14H,4-7,13H2,1-3H3,(H,15,17,18)
InChIKey
QXTFPADPHONNDK-UHFFFAOYSA-N
Compound name
6-amino-5-(butylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

254.17427 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.18155 160.7
[M+Na]+ 277.16349 168.6
[M-H]- 253.16699 160.5
[M+NH4]+ 272.20809 174.4
[M+K]+ 293.13743 164.7
[M+H-H2O]+ 237.17153 152.9
[M+HCOO]- 299.17247 181.3
[M+CH3COO]- 313.18812 201.0
[M+Na-2H]- 275.14894 162.3
[M]+ 254.17372 160.7
[M]- 254.17482 160.7
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.