CID 93822

57844-36-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.09027 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.09755 158.2
[M+Na]+ 289.07949 163.5
[M-H]- 265.08299 161.9
[M+NH4]+ 284.12409 173.9
[M+K]+ 305.05343 163.5
[M+H-H2O]+ 249.08753 150.8
[M+HCOO]- 311.08847 182.6
[M+CH3COO]- 325.10412 198.8
[M+Na-2H]- 287.06494 161.2
[M]+ 266.08972 160.8
[M]- 266.09082 160.8
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

No patent data available for this compound.