CID 288577

2-[2-(1h-indol-3-yl)ethyl]-1h-isoindole-1,3(2h)-dione

Structural Information

Molecular Formula
C18H14N2O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=CNC4=CC=CC=C43
InChI
InChI=1S/C18H14N2O2/c21-17-14-6-1-2-7-15(14)18(22)20(17)10-9-12-11-19-16-8-4-3-5-13(12)16/h1-8,11,19H,9-10H2
InChIKey
SAQDVULJSRMFJO-UHFFFAOYSA-N
Compound name
2-[2-(1H-indol-3-yl)ethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

87
Patents

290.10553 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11281 166.6
[M+Na]+ 313.09475 177.6
[M-H]- 289.09825 172.5
[M+NH4]+ 308.13935 184.6
[M+K]+ 329.06869 170.7
[M+H-H2O]+ 273.10279 159.0
[M+HCOO]- 335.10373 187.4
[M+CH3COO]- 349.11938 178.8
[M+Na-2H]- 311.08020 169.2
[M]+ 290.10498 168.5
[M]- 290.10608 168.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe