CID 378604

Nsc661244

Structural Information

Molecular Formula
C18H16N2
SMILES
C1=CC=C2C(=C1)C=CN2CCC3=CNC4=CC=CC=C43
InChI
InChI=1S/C18H16N2/c1-4-8-18-14(5-1)9-11-20(18)12-10-15-13-19-17-7-3-2-6-16(15)17/h1-9,11,13,19H,10,12H2
InChIKey
QTHJXQCOLGYAGN-UHFFFAOYSA-N
Compound name
1-[2-(1H-indol-3-yl)ethyl]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

260.13135 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13863 159.0
[M+Na]+ 283.12057 170.1
[M-H]- 259.12407 164.9
[M+NH4]+ 278.16517 178.2
[M+K]+ 299.09451 162.7
[M+H-H2O]+ 243.12861 151.0
[M+HCOO]- 305.12955 182.0
[M+CH3COO]- 319.14520 171.9
[M+Na-2H]- 281.10602 164.9
[M]+ 260.13080 161.6
[M]- 260.13190 161.6
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.