CID 3072527

142943-51-9

Structural Information

Molecular Formula
C14H15ClN4O4
SMILES
CN1C(=C(C(=O)N(C1=O)C)NC(=O)COC2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C14H15ClN4O4/c1-18-12(16)11(13(21)19(2)14(18)22)17-10(20)7-23-9-5-3-8(15)4-6-9/h3-6H,7,16H2,1-2H3,(H,17,20)
InChIKey
NQSWBHCESYNVMM-UHFFFAOYSA-N
Compound name
N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

338.0782 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.08548 174.1
[M+Na]+ 361.06742 187.5
[M+NH4]+ 356.11202 178.8
[M+K]+ 377.04136 182.3
[M-H]- 337.07092 176.2
[M+Na-2H]- 359.05287 179.8
[M]+ 338.07765 176.5
[M]- 338.07875 176.5
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