CID 3068041

3-(3-pyrrolidinopropylamino)indazole

Structural Information

Molecular Formula
C14H20N4
SMILES
C1CCN(C1)CCCNC2=NNC3=CC=CC=C32
InChI
InChI=1S/C14H20N4/c1-2-7-13-12(6-1)14(17-16-13)15-8-5-11-18-9-3-4-10-18/h1-2,6-7H,3-5,8-11H2,(H2,15,16,17)
InChIKey
JZMAFMWIMRRBKR-UHFFFAOYSA-N
Compound name
N-(3-pyrrolidin-1-ylpropyl)-1H-indazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

244.1688 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.17608 154.7
[M+Na]+ 267.15802 161.1
[M-H]- 243.16152 156.8
[M+NH4]+ 262.20262 171.5
[M+K]+ 283.13196 156.1
[M+H-H2O]+ 227.16606 145.4
[M+HCOO]- 289.16700 174.8
[M+CH3COO]- 303.18265 165.5
[M+Na-2H]- 265.14347 158.7
[M]+ 244.16825 152.4
[M]- 244.16935 152.4
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