CID 3072465

5-(p-chlorophenoxyacetamido)-1,3,4-trimethyluracil

Structural Information

Molecular Formula
C15H16ClN3O4
SMILES
CC1=C(C(=O)N(C(=O)N1C)C)NC(=O)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H16ClN3O4/c1-9-13(14(21)19(3)15(22)18(9)2)17-12(20)8-23-11-6-4-10(16)5-7-11/h4-7H,8H2,1-3H3,(H,17,20)
InChIKey
MCMMETANDKEDON-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

337.08295 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.09023 172.9
[M+Na]+ 360.07217 184.5
[M-H]- 336.07567 178.3
[M+NH4]+ 355.11677 185.2
[M+K]+ 376.04611 179.6
[M+H-H2O]+ 320.08021 164.5
[M+HCOO]- 382.08115 191.0
[M+CH3COO]- 396.09680 212.7
[M+Na-2H]- 358.05762 175.1
[M]+ 337.08240 180.0
[M]- 337.08350 180.0
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