CID 9449831

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

Structural Information

Molecular Formula
C12H19ClN4O3
SMILES
CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)CCl)N
InChI
InChI=1S/C12H19ClN4O3/c1-3-5-6-17-10(14)9(11(19)15-12(17)20)16(4-2)8(18)7-13/h3-7,14H2,1-2H3,(H,15,19,20)
InChIKey
PALCSBHSDBHSOQ-UHFFFAOYSA-N
Compound name
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-chloro-N-ethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.11456 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12184 167.3
[M+Na]+ 325.10378 176.2
[M-H]- 301.10728 168.4
[M+NH4]+ 320.14838 180.4
[M+K]+ 341.07772 171.9
[M+H-H2O]+ 285.11182 160.0
[M+HCOO]- 347.11276 184.3
[M+CH3COO]- 361.12841 208.7
[M+Na-2H]- 323.08923 167.9
[M]+ 302.11401 171.2
[M]- 302.11511 171.2
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.