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]+ 325.118276 173.4
[M+Na]+ 347.100218 181.3
[M-H]- 323.103724 180.1
[M+NH4]+ 342.144823 188.6
[M+K]+ 363.074158 177.3
[M+H-H2O]+ 307.108260 165.1
[M+HCOO]- 369.109201 195.6
[M+CH3COO]- 383.124851 210.4
[M+Na-2H]- 345.085666 175.6
[M]+ 324.11045142 176.3
[M]- 324.11154858 176.3
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.