CID 3021348

1-(3-piperidinopropyl)-3-(3-diethylaminopropylamino)indazole

Structural Information

Molecular Formula
C22H37N5
SMILES
CCN(CC)CCCNC1=NN(C2=CC=CC=C21)CCCN3CCCCC3
InChI
InChI=1S/C22H37N5/c1-3-25(4-2)17-10-14-23-22-20-12-6-7-13-21(20)27(24-22)19-11-18-26-15-8-5-9-16-26/h6-7,12-13H,3-5,8-11,14-19H2,1-2H3,(H,23,24)
InChIKey
QTFFWFFBJXECPR-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-[1-(3-piperidin-1-ylpropyl)indazol-3-yl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

371.3049 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.31218 194.1
[M+Na]+ 394.29412 196.4
[M-H]- 370.29762 197.1
[M+NH4]+ 389.33872 204.7
[M+K]+ 410.26806 191.3
[M+H-H2O]+ 354.30216 182.0
[M+HCOO]- 416.30310 211.9
[M+CH3COO]- 430.31875 227.4
[M+Na-2H]- 392.27957 195.3
[M]+ 371.30435 194.7
[M]- 371.30545 194.7
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