CID 3058416

1h-indole, 5-bromo-3-(4-piperidinylmethyl)-

Structural Information

Molecular Formula
C14H17BrN2
SMILES
C1CNCCC1CC2=CNC3=C2C=C(C=C3)Br
InChI
InChI=1S/C14H17BrN2/c15-12-1-2-14-13(8-12)11(9-17-14)7-10-3-5-16-6-4-10/h1-2,8-10,16-17H,3-7H2
InChIKey
BYKSCLVBTLQLDK-UHFFFAOYSA-N
Compound name
5-bromo-3-(piperidin-4-ylmethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.0575 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.06478 162.6
[M+Na]+ 315.04672 172.4
[M-H]- 291.05022 167.1
[M+NH4]+ 310.09132 180.6
[M+K]+ 331.02066 158.7
[M+H-H2O]+ 275.05476 161.6
[M+HCOO]- 337.05570 177.1
[M+CH3COO]- 351.07135 174.6
[M+Na-2H]- 313.03217 167.2
[M]+ 292.05695 175.6
[M]- 292.05805 175.6
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

No patent data available for this compound.