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

literature stripe

Patent stripe

patents stripe