CID 3021356

1-(3-piperidinobutyl)-3-(3-piperidinopropylamino)indazole

Structural Information

Molecular Formula
C24H39N5
SMILES
CC(CCN1C2=CC=CC=C2C(=N1)NCCCN3CCCCC3)N4CCCCC4
InChI
InChI=1S/C24H39N5/c1-21(28-18-8-3-9-19-28)13-20-29-23-12-5-4-11-22(23)24(26-29)25-14-10-17-27-15-6-2-7-16-27/h4-5,11-12,21H,2-3,6-10,13-20H2,1H3,(H,25,26)
InChIKey
CCEYDLKSJSHNSQ-UHFFFAOYSA-N
Compound name
1-(3-piperidin-1-ylbutyl)-N-(3-piperidin-1-ylpropyl)indazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

397.32056 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.32784 200.4
[M+Na]+ 420.30978 200.5
[M-H]- 396.31328 202.7
[M+NH4]+ 415.35438 207.3
[M+K]+ 436.28372 193.6
[M+H-H2O]+ 380.31782 186.7
[M+HCOO]- 442.31876 210.5
[M+CH3COO]- 456.33441 205.1
[M+Na-2H]- 418.29523 198.5
[M]+ 397.32001 194.0
[M]- 397.32111 194.0
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