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 173.4
[M+Na]+ 347.10022 181.3
[M-H]- 323.10372 180.1
[M+NH4]+ 342.14482 188.6
[M+K]+ 363.07416 177.3
[M+H-H2O]+ 307.10826 165.1
[M+HCOO]- 369.10920 195.6
[M+CH3COO]- 383.12485 210.4
[M+Na-2H]- 345.08567 175.6
[M]+ 324.11045 176.3
[M]- 324.11155 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.