CID 707052

16320-15-3

Structural Information

Molecular Formula
C18H16N2O4
SMILES
CCOC(=O)C1=CC=C(C=C1)NCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H16N2O4/c1-2-24-18(23)12-7-9-13(10-8-12)19-11-20-16(21)14-5-3-4-6-15(14)17(20)22/h3-10,19H,2,11H2,1H3
InChIKey
UBQTZGQXQLUMKZ-UHFFFAOYSA-N
Compound name
ethyl 4-[(1,3-dioxoisoindol-2-yl)methylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.111 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11828 175.0
[M+Na]+ 347.10022 186.9
[M+NH4]+ 342.14482 181.2
[M+K]+ 363.07416 182.4
[M-H]- 323.10372 177.6
[M+Na-2H]- 345.08567 180.1
[M]+ 324.11045 177.1
[M]- 324.11155 177.1
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.