CID 3072463

5-(p-chlorophenoxyacetamido)-1,4-dimethyluracil

Structural Information

Molecular Formula
C14H14ClN3O4
SMILES
CC1=C(C(=O)N(C(=O)N1)C)NC(=O)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H14ClN3O4/c1-8-12(13(20)18(2)14(21)16-8)17-11(19)7-22-10-5-3-9(15)4-6-10/h3-6H,7H2,1-2H3,(H,16,21)(H,17,19)
InChIKey
STQMTFSWYIBLHG-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-N-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

323.0673 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.07458 168.9
[M+Na]+ 346.05652 179.6
[M-H]- 322.06002 172.8
[M+NH4]+ 341.10112 180.8
[M+K]+ 362.03046 174.0
[M+H-H2O]+ 306.06456 160.8
[M+HCOO]- 368.06550 185.8
[M+CH3COO]- 382.08115 206.2
[M+Na-2H]- 344.04197 171.8
[M]+ 323.06675 173.4
[M]- 323.06785 173.4
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

patents stripe