CID 198325

Wy-16922

Structural Information

Molecular Formula
C12H14N2O5
SMILES
CCOC(=O)C(=O)NC1=C(C(=CC=C1)OC)C(=O)N
InChI
InChI=1S/C12H14N2O5/c1-3-19-12(17)11(16)14-7-5-4-6-8(18-2)9(7)10(13)15/h4-6H,3H2,1-2H3,(H2,13,15)(H,14,16)
InChIKey
GGLRYZACPLNCKB-UHFFFAOYSA-N
Compound name
ethyl 2-(2-carbamoyl-3-methoxyanilino)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

266.09027 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.09755 157.9
[M+Na]+ 289.07949 163.9
[M-H]- 265.08299 161.3
[M+NH4]+ 284.12409 173.4
[M+K]+ 305.05343 163.6
[M+H-H2O]+ 249.08753 150.7
[M+HCOO]- 311.08847 181.5
[M+CH3COO]- 325.10412 200.9
[M+Na-2H]- 287.06494 159.1
[M]+ 266.08972 160.0
[M]- 266.09082 160.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe