CID 7131713

N-(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-chloro-n-cyclopentylacetamide

Structural Information

Molecular Formula
C15H23ClN4O3
SMILES
CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=O)CCl)N
InChI
InChI=1S/C15H23ClN4O3/c1-2-3-8-19-13(17)12(14(22)18-15(19)23)20(11(21)9-16)10-6-4-5-7-10/h10H,2-9,17H2,1H3,(H,18,22,23)
InChIKey
UTOBCOBTKRGBKQ-UHFFFAOYSA-N
Compound name
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-chloro-N-cyclopentylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.14587 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.153146 179.6
[M+Na]+ 365.135088 186.2
[M-H]- 341.138594 183.2
[M+NH4]+ 360.179693 192.3
[M+K]+ 381.109028 181.3
[M+H-H2O]+ 325.143130 171.4
[M+HCOO]- 387.144071 194.9
[M+CH3COO]- 401.159721 214.0
[M+Na-2H]- 363.120536 177.1
[M]+ 342.14532142 180.1
[M]- 342.14641858 180.1
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.