CID 435757

Schembl13108706

Structural Information

Molecular Formula
C12H16N2O2
SMILES
CCOC(=N)C1=CC=C(C=C1)C(=N)OCC
InChI
InChI=1S/C12H16N2O2/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h5-8,13-14H,3-4H2,1-2H3
InChIKey
DMSRHQUOJVYYHU-UHFFFAOYSA-N
Compound name
diethyl benzene-1,4-dicarboximidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

220.12119 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 150.8
[M+Na]+ 243.11041 156.2
[M-H]- 219.11391 154.2
[M+NH4]+ 238.15501 168.5
[M+K]+ 259.08435 154.3
[M+H-H2O]+ 203.11845 143.9
[M+HCOO]- 265.11939 175.2
[M+CH3COO]- 279.13504 194.1
[M+Na-2H]- 241.09586 154.7
[M]+ 220.12064 150.6
[M]- 220.12174 150.6
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.