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]+ 267.097546 158.2
[M+Na]+ 289.079488 163.5
[M-H]- 265.082994 161.9
[M+NH4]+ 284.124093 173.9
[M+K]+ 305.053428 163.5
[M+H-H2O]+ 249.087530 150.8
[M+HCOO]- 311.088471 182.6
[M+CH3COO]- 325.104121 198.8
[M+Na-2H]- 287.064936 161.2
[M]+ 266.08972142 160.8
[M]- 266.09081858 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.