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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	267.181576	161.4
[M+Na]+	289.163518	168.2
[M-H]-	265.167024	163.9
[M+NH4]+	284.208123	175.9
[M+K]+	305.137458	163.4
[M+H-H2O]+	249.171560	153.0
[M+HCOO]-	311.172501	182.1
[M+CH3COO]-	325.188151	199.4
[M+Na-2H]-	287.148966	162.2
[M]+	266.17375142	157.9
[M]-	266.17484858	157.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.