CID 58970

6-nitro-3-(piperidin-1-ylmethyl)-1h-indole

Structural Information

Molecular Formula
C14H17N3O2
SMILES
C1CCN(CC1)CC2=CNC3=C2C=CC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H17N3O2/c18-17(19)12-4-5-13-11(9-15-14(13)8-12)10-16-6-2-1-3-7-16/h4-5,8-9,15H,1-3,6-7,10H2
InChIKey
CGHIJADMYOVGCZ-UHFFFAOYSA-N
Compound name
6-nitro-3-(piperidin-1-ylmethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.13208 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13936 156.5
[M+Na]+ 282.12130 169.7
[M+NH4]+ 277.16590 164.7
[M+K]+ 298.09524 167.0
[M-H]- 258.12480 160.8
[M+Na-2H]- 280.10675 162.8
[M]+ 259.13153 159.3
[M]- 259.13263 159.3
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.