CID 3072464

5-(p-chlorophenoxyacetamido)-4-methyluracil

Structural Information

Molecular Formula
C13H12ClN3O4
SMILES
CC1=C(C(=O)NC(=O)N1)NC(=O)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H12ClN3O4/c1-7-11(12(19)17-13(20)15-7)16-10(18)6-21-9-4-2-8(14)3-5-9/h2-5H,6H2,1H3,(H,16,18)(H2,15,17,19,20)
InChIKey
JAEPFAUDGLVTSX-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

309.05164 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.05892 164.5
[M+Na]+ 332.04086 174.4
[M-H]- 308.04436 166.9
[M+NH4]+ 327.08546 176.0
[M+K]+ 348.01480 168.1
[M+H-H2O]+ 292.04890 156.7
[M+HCOO]- 354.04984 180.4
[M+CH3COO]- 368.06549 199.6
[M+Na-2H]- 330.02631 168.3
[M]+ 309.05109 166.5
[M]- 309.05219 166.5
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