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 174.4
[M+Na]+ 361.06742 185.5
[M-H]- 337.07092 179.5
[M+NH4]+ 356.11202 186.0
[M+K]+ 377.04136 180.6
[M+H-H2O]+ 321.07546 165.9
[M+HCOO]- 383.07640 193.2
[M+CH3COO]- 397.09205 214.6
[M+Na-2H]- 359.05287 176.4
[M]+ 338.07765 179.5
[M]- 338.07875 179.5
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