CID 3068045

3-(6-piperidinohexylamino)indazole

Structural Information

Molecular Formula
C18H28N4
SMILES
C1CCN(CC1)CCCCCCNC2=NNC3=CC=CC=C32
InChI
InChI=1S/C18H28N4/c1(2-7-13-22-14-8-3-9-15-22)6-12-19-18-16-10-4-5-11-17(16)20-21-18/h4-5,10-11H,1-3,6-9,12-15H2,(H2,19,20,21)
InChIKey
SEKMSVIJXDEZOB-UHFFFAOYSA-N
Compound name
N-(6-piperidin-1-ylhexyl)-1H-indazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

300.23138 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.23866 172.4
[M+Na]+ 323.22060 176.1
[M-H]- 299.22410 172.9
[M+NH4]+ 318.26520 184.7
[M+K]+ 339.19454 169.6
[M+H-H2O]+ 283.22864 161.7
[M+HCOO]- 345.22958 188.7
[M+CH3COO]- 359.24523 180.5
[M+Na-2H]- 321.20605 176.1
[M]+ 300.23083 168.9
[M]- 300.23193 168.9
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