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]+ 262.133876 158.3
[M+Na]+ 284.115818 169.4
[M-H]- 260.119324 161.7
[M+NH4]+ 279.160423 175.4
[M+K]+ 300.089758 161.3
[M+H-H2O]+ 244.123860 150.0
[M+HCOO]- 306.124801 178.9
[M+CH3COO]- 320.140451 170.3
[M+Na-2H]- 282.101266 164.4
[M]+ 261.12605142 159.4
[M]- 261.12714858 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.