CID 93818

57834-50-1

Structural Information

Molecular Formula
C19H20N2O4
SMILES
CCOC(=O)C1=CC=C(C=C1)NC=NC2=CC=C(C=C2)C(=O)OCC
InChI
InChI=1S/C19H20N2O4/c1-3-24-18(22)14-5-9-16(10-6-14)20-13-21-17-11-7-15(8-12-17)19(23)25-4-2/h5-13H,3-4H2,1-2H3,(H,20,21)
InChIKey
GQCWLVKRYZIQBN-UHFFFAOYSA-N
Compound name
ethyl 4-[(4-ethoxycarbonylphenyl)iminomethylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22
Patents

340.1423 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.149576 180.5
[M+Na]+ 363.131518 185.4
[M-H]- 339.135024 188.1
[M+NH4]+ 358.176123 193.5
[M+K]+ 379.105458 183.0
[M+H-H2O]+ 323.139560 170.9
[M+HCOO]- 385.140501 206.0
[M+CH3COO]- 399.156151 217.4
[M+Na-2H]- 361.116966 183.3
[M]+ 340.14175142 184.5
[M]- 340.14284858 184.5
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

patents stripe