CID 3074802

161806-39-9

Structural Information

Molecular Formula
C17H15N3
SMILES
C1=CC=C2C(=C1)C(=CN2)CCC3=NC4=CC=CC=C4N3
InChI
InChI=1S/C17H15N3/c1-2-6-14-13(5-1)12(11-18-14)9-10-17-19-15-7-3-4-8-16(15)20-17/h1-8,11,18H,9-10H2,(H,19,20)
InChIKey
RZJAUSDHHRSXHT-UHFFFAOYSA-N
Compound name
2-[2-(1H-indol-3-yl)ethyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1266 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.13388 158.3
[M+Na]+ 284.11582 169.4
[M-H]- 260.11932 161.7
[M+NH4]+ 279.16042 175.4
[M+K]+ 300.08976 161.3
[M+H-H2O]+ 244.12386 150.0
[M+HCOO]- 306.12480 178.9
[M+CH3COO]- 320.14045 170.3
[M+Na-2H]- 282.10127 164.4
[M]+ 261.12605 159.4
[M]- 261.12715 159.4
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.