CID 385152

Nsc676165

Structural Information

Molecular Formula
C9H14N4O4
SMILES
CCOC(=O)CC(=O)C(=O)NNC1=NCCN1
InChI
InChI=1S/C9H14N4O4/c1-2-17-7(15)5-6(14)8(16)12-13-9-10-3-4-11-9/h2-5H2,1H3,(H,12,16)(H2,10,11,13)
InChIKey
PEUNVQKNKHEZMG-UHFFFAOYSA-N
Compound name
ethyl 4-[2-(4,5-dihydro-1H-imidazol-2-yl)hydrazinyl]-3,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1015 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10878 153.3
[M+Na]+ 265.09072 157.2
[M-H]- 241.09422 152.5
[M+NH4]+ 260.13532 167.9
[M+K]+ 281.06466 156.7
[M+H-H2O]+ 225.09876 145.0
[M+HCOO]- 287.09970 173.6
[M+CH3COO]- 301.11535 190.4
[M+Na-2H]- 263.07617 155.2
[M]+ 242.10095 151.4
[M]- 242.10205 151.4
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.