CID 42034513

941190-92-7

Structural Information

Molecular Formula
C10H14ClN3O3
SMILES
CC(C)CN1C(=C(C(=O)NC1=O)C(=O)CCl)N
InChI
InChI=1S/C10H14ClN3O3/c1-5(2)4-14-8(12)7(6(15)3-11)9(16)13-10(14)17/h5H,3-4,12H2,1-2H3,(H,13,16,17)
InChIKey
HHRJFISOYUHADD-UHFFFAOYSA-N
Compound name
6-amino-5-(2-chloroacetyl)-1-(2-methylpropyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.07236 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.07964 153.3
[M+Na]+ 282.06158 163.5
[M-H]- 258.06508 153.4
[M+NH4]+ 277.10618 167.7
[M+K]+ 298.03552 158.8
[M+H-H2O]+ 242.06962 147.2
[M+HCOO]- 304.07056 168.5
[M+CH3COO]- 318.08621 195.8
[M+Na-2H]- 280.04703 154.1
[M]+ 259.07181 155.4
[M]- 259.07291 155.4
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.