CID 3021347

3-(5-methyl-3-piperidinohexylamino)indazole

Structural Information

Molecular Formula
C19H30N4
SMILES
CC(C)CC(CCNC1=NNC2=CC=CC=C21)N3CCCCC3
InChI
InChI=1S/C19H30N4/c1-15(2)14-16(23-12-6-3-7-13-23)10-11-20-19-17-8-4-5-9-18(17)21-22-19/h4-5,8-9,15-16H,3,6-7,10-14H2,1-2H3,(H2,20,21,22)
InChIKey
XFXBHOVYUBIUIK-UHFFFAOYSA-N
Compound name
N-(5-methyl-3-piperidin-1-ylhexyl)-1H-indazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

314.24704 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.25432 178.3
[M+Na]+ 337.23626 180.9
[M-H]- 313.23976 179.0
[M+NH4]+ 332.28086 190.0
[M+K]+ 353.21020 175.3
[M+H-H2O]+ 297.24430 167.8
[M+HCOO]- 359.24524 192.2
[M+CH3COO]- 373.26089 185.7
[M+Na-2H]- 335.22171 179.2
[M]+ 314.24649 174.0
[M]- 314.24759 174.0
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