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]+ 414.35912 206.9
[M+Na]+ 436.34106 207.8
[M-H]- 412.34456 209.2
[M+NH4]+ 431.38566 215.7
[M+K]+ 452.31500 202.0
[M+H-H2O]+ 396.34910 194.2
[M+HCOO]- 458.35004 223.6
[M+CH3COO]- 472.36569 236.1
[M+Na-2H]- 434.32651 206.5
[M]+ 413.35129 208.4
[M]- 413.35239 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