CID 64804

1089-84-5

Structural Information

Molecular Formula
C14H16NO5
SMILES
CCOC(=O)C(=C(C1=CC=CC=C1)N[O-])C(=O)OCC
InChI
InChI=1S/C14H16NO5/c1-3-19-13(16)11(14(17)20-4-2)12(15-18)10-8-6-5-7-9-10/h5-9,15H,3-4H2,1-2H3/q-1
InChIKey
GWZUXBYCGGWHPF-UHFFFAOYSA-N
Compound name
diethyl 2-[(oxidoamino)-phenylmethylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.10284 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11012 162.1
[M+Na]+ 301.09206 165.6
[M-H]- 277.09556 163.2
[M+NH4]+ 296.13666 176.3
[M+K]+ 317.06600 165.4
[M+H-H2O]+ 261.10010 157.1
[M+HCOO]- 323.10104 183.2
[M+CH3COO]- 337.11669 197.0
[M+Na-2H]- 299.07751 162.4
[M]+ 278.10229 162.9
[M]- 278.10339 162.9
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.