CID 3021357

1-(3-piperidinobutyl)-3-(5-methyl-3-piperidinohexylamino)indazole

Structural Information

Molecular Formula
C28H47N5
SMILES
CC(C)CC(CCNC1=NN(C2=CC=CC=C21)CCC(C)N3CCCCC3)N4CCCCC4
InChI
InChI=1S/C28H47N5/c1-23(2)22-25(32-19-10-5-11-20-32)14-16-29-28-26-12-6-7-13-27(26)33(30-28)21-15-24(3)31-17-8-4-9-18-31/h6-7,12-13,23-25H,4-5,8-11,14-22H2,1-3H3,(H,29,30)
InChIKey
MCEHCXYYHDEFIG-UHFFFAOYSA-N
Compound name
N-(5-methyl-3-piperidin-1-ylhexyl)-1-(3-piperidin-1-ylbutyl)indazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

453.38315 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.39043 217.1
[M+Na]+ 476.37237 214.7
[M-H]- 452.37587 218.9
[M+NH4]+ 471.41697 221.5
[M+K]+ 492.34631 208.2
[M+H-H2O]+ 436.38041 203.4
[M+HCOO]- 498.38135 223.8
[M+CH3COO]- 512.39700 219.9
[M+Na-2H]- 474.35782 211.2
[M]+ 453.38260 210.8
[M]- 453.38370 210.8
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