CID 3021350

1h-indazole-1-propanamine, n,n-diethyl-3-((6-(1-piperidinyl)hexyl)amino)-

Structural Information

Molecular Formula
C25H43N5
SMILES
CCN(CC)CCCN1C2=CC=CC=C2C(=N1)NCCCCCCN3CCCCC3
InChI
InChI=1S/C25H43N5/c1-3-28(4-2)21-14-22-30-24-16-9-8-15-23(24)25(27-30)26-17-10-5-6-11-18-29-19-12-7-13-20-29/h8-9,15-16H,3-7,10-14,17-22H2,1-2H3,(H,26,27)
InChIKey
AOGWULSRTLQSJU-UHFFFAOYSA-N
Compound name
1-[3-(diethylamino)propyl]-N-(6-piperidin-1-ylhexyl)indazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

413.35184 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.359116 206.9
[M+Na]+ 436.341058 207.8
[M-H]- 412.344564 209.2
[M+NH4]+ 431.385663 215.7
[M+K]+ 452.314998 202.0
[M+H-H2O]+ 396.349100 194.2
[M+HCOO]- 458.350041 223.6
[M+CH3COO]- 472.365691 236.1
[M+Na-2H]- 434.326506 206.5
[M]+ 413.35129142 208.4
[M]- 413.35238858 208.4
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