CID 1526620

6-amino-1-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

Structural Information

Molecular Formula
C11H10ClN3O2
SMILES
C1=CC(=CC=C1CN2C(=CC(=O)NC2=O)N)Cl
InChI
InChI=1S/C11H10ClN3O2/c12-8-3-1-7(2-4-8)6-15-9(13)5-10(16)14-11(15)17/h1-5H,6,13H2,(H,14,16,17)
InChIKey
HGWQNUBKCNLWAI-UHFFFAOYSA-N
Compound name
6-amino-1-[(4-chlorophenyl)methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

251.04616 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.053436 152.0
[M+Na]+ 274.035378 163.5
[M-H]- 250.038884 155.2
[M+NH4]+ 269.079983 166.5
[M+K]+ 290.009318 156.8
[M+H-H2O]+ 234.043420 144.5
[M+HCOO]- 296.044361 169.7
[M+CH3COO]- 310.060011 191.4
[M+Na-2H]- 272.020826 157.1
[M]+ 251.04561142 152.5
[M]- 251.04670858 152.5
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

patents stripe