CID 2435412

565180-48-5

Structural Information

Molecular Formula
C14H23ClN4O3
SMILES
CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CCl)N
InChI
InChI=1S/C14H23ClN4O3/c1-8(2)6-18(10(20)5-15)11-12(16)19(7-9(3)4)14(22)17-13(11)21/h8-9H,5-7,16H2,1-4H3,(H,17,21,22)
InChIKey
YENAOQAXFFYGIR-UHFFFAOYSA-N
Compound name
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-chloro-N-(2-methylpropyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.14587 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.15315 175.2
[M+Na]+ 353.13509 184.3
[M+NH4]+ 348.17969 178.8
[M+K]+ 369.10903 181.2
[M-H]- 329.13859 174.1
[M+Na-2H]- 351.12054 176.6
[M]+ 330.14532 175.9
[M]- 330.14642 175.9
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.