CID 2461606

561001-99-8

Structural Information

Molecular Formula
C13H21ClN4O4
SMILES
CC(C)CN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)CCl)N
InChI
InChI=1S/C13H21ClN4O4/c1-8(2)7-18-11(15)10(12(20)16-13(18)21)17(4-5-22-3)9(19)6-14/h8H,4-7,15H2,1-3H3,(H,16,20,21)
InChIKey
PIIWKPPJQCZCAO-UHFFFAOYSA-N
Compound name
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-chloro-N-(2-methoxyethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.12512 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13240 173.4
[M+Na]+ 355.11434 181.4
[M-H]- 331.11784 174.5
[M+NH4]+ 350.15894 185.1
[M+K]+ 371.08828 178.2
[M+H-H2O]+ 315.12238 166.0
[M+HCOO]- 377.12332 189.4
[M+CH3COO]- 391.13897 214.9
[M+Na-2H]- 353.09979 172.6
[M]+ 332.12457 178.5
[M]- 332.12567 178.5
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.