CID 378608

Nsc661248

Structural Information

Molecular Formula
C18H18N2
SMILES
C1CN(C2=CC=CC=C21)CCC3=CNC4=CC=CC=C43
InChI
InChI=1S/C18H18N2/c1-4-8-18-14(5-1)9-11-20(18)12-10-15-13-19-17-7-3-2-6-16(15)17/h1-8,13,19H,9-12H2
InChIKey
JFNPAIFYPYOSES-UHFFFAOYSA-N
Compound name
3-[2-(2,3-dihydroindol-1-yl)ethyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.147 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.15428 160.8
[M+Na]+ 285.13622 169.8
[M-H]- 261.13972 165.8
[M+NH4]+ 280.18082 179.8
[M+K]+ 301.11016 162.8
[M+H-H2O]+ 245.14426 152.7
[M+HCOO]- 307.14520 181.0
[M+CH3COO]- 321.16085 172.6
[M+Na-2H]- 283.12167 164.7
[M]+ 262.14645 160.5
[M]- 262.14755 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

No patent data available for this compound.