CID 3068039

3-(3-piperidinopropylamino)indazole

Structural Information

Molecular Formula
C15H22N4
SMILES
C1CCN(CC1)CCCNC2=NNC3=CC=CC=C32
InChI
InChI=1S/C15H22N4/c1-4-10-19(11-5-1)12-6-9-16-15-13-7-2-3-8-14(13)17-18-15/h2-3,7-8H,1,4-6,9-12H2,(H2,16,17,18)
InChIKey
VNQGLEGVJDTWLQ-UHFFFAOYSA-N
Compound name
N-(3-piperidin-1-ylpropyl)-1H-indazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

258.18445 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.19173 159.4
[M+Na]+ 281.17367 164.5
[M-H]- 257.17717 160.6
[M+NH4]+ 276.21827 173.6
[M+K]+ 297.14761 158.7
[M+H-H2O]+ 241.18171 149.4
[M+HCOO]- 303.18265 176.8
[M+CH3COO]- 317.19830 168.9
[M+Na-2H]- 279.15912 164.7
[M]+ 258.18390 155.0
[M]- 258.18500 155.0
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