CID 11971047

1-(3-homopiperidinopropyl)-3-aminoindazole

Structural Information

Molecular Formula
C16H24N4
SMILES
C1CCCN(CC1)CCCN2C3=CC=CC=C3C(=N2)N
InChI
InChI=1S/C16H24N4/c17-16-14-8-3-4-9-15(14)20(18-16)13-7-12-19-10-5-1-2-6-11-19/h3-4,8-9H,1-2,5-7,10-13H2,(H2,17,18)
InChIKey
NPDWBOLPBMKUGP-UHFFFAOYSA-N
Compound name
1-[3-(azepan-1-yl)propyl]indazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

272.2001 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.20738 164.7
[M+Na]+ 295.18932 169.9
[M-H]- 271.19282 168.5
[M+NH4]+ 290.23392 178.2
[M+K]+ 311.16326 168.4
[M+H-H2O]+ 255.19736 154.1
[M+HCOO]- 317.19830 182.1
[M+CH3COO]- 331.21395 174.2
[M+Na-2H]- 293.17477 167.6
[M]+ 272.19955 159.0
[M]- 272.20065 159.0
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