CID 39465

Indole, 3-(2-(isoindolin-2-yl)ethyl)-

Structural Information

Molecular Formula
C18H18N2
SMILES
C1C2=CC=CC=C2CN1CCC3=CNC4=CC=CC=C43
InChI
InChI=1S/C18H18N2/c1-2-6-16-13-20(12-15(16)5-1)10-9-14-11-19-18-8-4-3-7-17(14)18/h1-8,11,19H,9-10,12-13H2
InChIKey
DSJXKPWYQOXOQL-UHFFFAOYSA-N
Compound name
3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

262.147 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.154276 160.8
[M+Na]+ 285.136218 169.8
[M-H]- 261.139724 165.8
[M+NH4]+ 280.180823 179.8
[M+K]+ 301.110158 162.8
[M+H-H2O]+ 245.144260 152.7
[M+HCOO]- 307.145201 181.0
[M+CH3COO]- 321.160851 172.6
[M+Na-2H]- 283.121666 164.7
[M]+ 262.14645142 160.5
[M]- 262.14754858 160.5
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

patents stripe