CID 2363705

568555-61-3

Structural Information

Molecular Formula
C13H22N4O2
SMILES
CCCCN1C(=C(C(=O)NC1=O)NC2CCCC2)N
InChI
InChI=1S/C13H22N4O2/c1-2-3-8-17-11(14)10(12(18)16-13(17)19)15-9-6-4-5-7-9/h9,15H,2-8,14H2,1H3,(H,16,18,19)
InChIKey
QSWLLYQXNWLJDT-UHFFFAOYSA-N
Compound name
6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1743 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18158 161.4
[M+Na]+ 289.16352 168.2
[M-H]- 265.16702 163.9
[M+NH4]+ 284.20812 175.9
[M+K]+ 305.13746 163.4
[M+H-H2O]+ 249.17156 153.0
[M+HCOO]- 311.17250 182.1
[M+CH3COO]- 325.18815 199.4
[M+Na-2H]- 287.14897 162.2
[M]+ 266.17375 157.9
[M]- 266.17485 157.9
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.