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

15
Patents

340.1423 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14958 180.5
[M+Na]+ 363.13152 185.4
[M-H]- 339.13502 188.1
[M+NH4]+ 358.17612 193.5
[M+K]+ 379.10546 183.0
[M+H-H2O]+ 323.13956 170.9
[M+HCOO]- 385.14050 206.0
[M+CH3COO]- 399.15615 217.4
[M+Na-2H]- 361.11697 183.3
[M]+ 340.14175 184.5
[M]- 340.14285 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