CID 3021353

1h-indazol-3-amine, n,1-bis(3-(1-piperidinyl)propyl)-

Structural Information

Molecular Formula
C23H37N5
SMILES
C1CCN(CC1)CCCNC2=NN(C3=CC=CC=C32)CCCN4CCCCC4
InChI
InChI=1S/C23H37N5/c1-5-14-26(15-6-1)18-9-13-24-23-21-11-3-4-12-22(21)28(25-23)20-10-19-27-16-7-2-8-17-27/h3-4,11-12H,1-2,5-10,13-20H2,(H,24,25)
InChIKey
KGRCESSMKIKICQ-UHFFFAOYSA-N
Compound name
N,1-bis(3-piperidin-1-ylpropyl)indazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

383.3049 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.31218 195.8
[M+Na]+ 406.29412 196.6
[M-H]- 382.29762 198.0
[M+NH4]+ 401.33872 203.2
[M+K]+ 422.26806 189.4
[M+H-H2O]+ 366.30216 182.0
[M+HCOO]- 428.30310 207.2
[M+CH3COO]- 442.31875 201.0
[M+Na-2H]- 404.27957 195.4
[M]+ 383.30435 189.5
[M]- 383.30545 189.5
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