CID 3021349

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

Structural Information

Molecular Formula
C22H37N5
SMILES
CCN(CC)CCCN1C2=CC=CC=C2C(=N1)NCCCN3CCCCC3
InChI
InChI=1S/C22H37N5/c1-3-25(4-2)18-11-19-27-21-13-7-6-12-20(21)22(24-27)23-14-10-17-26-15-8-5-9-16-26/h6-7,12-13H,3-5,8-11,14-19H2,1-2H3,(H,23,24)
InChIKey
SEBAJLQGRQSPRQ-UHFFFAOYSA-N
Compound name
1-[3-(diethylamino)propyl]-N-(3-piperidin-1-ylpropyl)indazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

371.3049 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.312176 194.1
[M+Na]+ 394.294118 196.4
[M-H]- 370.297624 197.1
[M+NH4]+ 389.338723 204.7
[M+K]+ 410.268058 191.3
[M+H-H2O]+ 354.302160 182.0
[M+HCOO]- 416.303101 211.9
[M+CH3COO]- 430.318751 227.4
[M+Na-2H]- 392.279566 195.3
[M]+ 371.30435142 194.7
[M]- 371.30544858 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