CID 10448676

145917-81-3

Structural Information

Molecular Formula
C18H12N2O4
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)OC(=O)CC3=CNC4=CC=CC=C43
InChI
InChI=1S/C18H12N2O4/c21-16(9-11-10-19-15-8-4-3-5-12(11)15)24-20-17(22)13-6-1-2-7-14(13)18(20)23/h1-8,10,19H,9H2
InChIKey
DPOYWOPMHWLHTF-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 2-(1H-indol-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.0797 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.08698 171.7
[M+Na]+ 343.06892 182.0
[M-H]- 319.07242 177.8
[M+NH4]+ 338.11352 188.1
[M+K]+ 359.04286 176.6
[M+H-H2O]+ 303.07696 164.1
[M+HCOO]- 365.07790 191.9
[M+CH3COO]- 379.09355 183.4
[M+Na-2H]- 341.05437 173.5
[M]+ 320.07915 175.0
[M]- 320.08025 175.0
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.