CID 19800125

4-benzyl-1h-indole

Structural Information

Molecular Formula
C15H13N
SMILES
C1=CC=C(C=C1)CC2=C3C=CNC3=CC=C2
InChI
InChI=1S/C15H13N/c1-2-5-12(6-3-1)11-13-7-4-8-15-14(13)9-10-16-15/h1-10,16H,11H2
InChIKey
UWWDSFRFGQOVPB-UHFFFAOYSA-N
Compound name
4-benzyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

207.1048 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.112076 144.3
[M+Na]+ 230.094018 153.6
[M-H]- 206.097524 149.7
[M+NH4]+ 225.138623 164.0
[M+K]+ 246.067958 147.6
[M+H-H2O]+ 190.102060 137.1
[M+HCOO]- 252.103001 167.7
[M+CH3COO]- 266.118651 157.7
[M+Na-2H]- 228.079466 152.1
[M]+ 207.10425142 143.9
[M]- 207.10534858 143.9
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

patents stripe