CID 388632

Nsc683644

Structural Information

Molecular Formula
C11H10ClN3O2
SMILES
C1=CC(=CC(=C1)Cl)CC2=C(NC(=O)NC2=O)N
InChI
InChI=1S/C11H10ClN3O2/c12-7-3-1-2-6(4-7)5-8-9(13)14-11(17)15-10(8)16/h1-4H,5H2,(H4,13,14,15,16,17)
InChIKey
ZTDMRDXCPKZDRK-UHFFFAOYSA-N
Compound name
6-amino-5-[(3-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.04616 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.05344 152.4
[M+Na]+ 274.03538 163.5
[M-H]- 250.03888 154.3
[M+NH4]+ 269.07998 166.3
[M+K]+ 290.00932 156.0
[M+H-H2O]+ 234.04342 145.3
[M+HCOO]- 296.04436 168.6
[M+CH3COO]- 310.06001 189.1
[M+Na-2H]- 272.02083 157.1
[M]+ 251.04561 151.2
[M]- 251.04671 151.2
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.