CID 6452189

Vibrindole a

Structural Information

Molecular Formula
C18H16N2
SMILES
CC(C1=CNC2=CC=CC=C21)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C18H16N2/c1-12(15-10-19-17-8-4-2-6-13(15)17)16-11-20-18-9-5-3-7-14(16)18/h2-12,19-20H,1H3
InChIKey
WOJBBIJJRKFKOJ-UHFFFAOYSA-N
Compound name
3-[1-(1H-indol-3-yl)ethyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

45
Patents

260.13135 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13863 159.4
[M+Na]+ 283.12057 169.7
[M-H]- 259.12407 164.1
[M+NH4]+ 278.16517 177.9
[M+K]+ 299.09451 162.1
[M+H-H2O]+ 243.12861 152.0
[M+HCOO]- 305.12955 180.0
[M+CH3COO]- 319.14520 171.6
[M+Na-2H]- 281.10602 163.9
[M]+ 260.13080 159.7
[M]- 260.13190 159.7
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.