CID 3021374

1-(5-methyl-3-piperidinohexyl)-3-aminoindazole

Structural Information

Molecular Formula
C19H30N4
SMILES
CC(C)CC(CCN1C2=CC=CC=C2C(=N1)N)N3CCCCC3
InChI
InChI=1S/C19H30N4/c1-15(2)14-16(22-11-6-3-7-12-22)10-13-23-18-9-5-4-8-17(18)19(20)21-23/h4-5,8-9,15-16H,3,6-7,10-14H2,1-2H3,(H2,20,21)
InChIKey
VZLSWMZWMDOCLH-UHFFFAOYSA-N
Compound name
1-(5-methyl-3-piperidin-1-ylhexyl)indazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

314.24704 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.25432 179.7
[M+Na]+ 337.23626 183.8
[M-H]- 313.23976 181.7
[M+NH4]+ 332.28086 192.2
[M+K]+ 353.21020 178.6
[M+H-H2O]+ 297.24430 169.3
[M+HCOO]- 359.24524 194.5
[M+CH3COO]- 373.26089 187.9
[M+Na-2H]- 335.22171 179.1
[M]+ 314.24649 176.6
[M]- 314.24759 176.6
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