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]+ 343.15315 179.6
[M+Na]+ 365.13509 186.2
[M-H]- 341.13859 183.2
[M+NH4]+ 360.17969 192.3
[M+K]+ 381.10903 181.3
[M+H-H2O]+ 325.14313 171.4
[M+HCOO]- 387.14407 194.9
[M+CH3COO]- 401.15972 214.0
[M+Na-2H]- 363.12054 177.1
[M]+ 342.14532 180.1
[M]- 342.14642 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.