CID 3021363

1-(3-(4-chloropiperidino)propyl)-3-aminoindazole

Structural Information

Molecular Formula
C15H21ClN4
SMILES
C1CN(CCC1Cl)CCCN2C3=CC=CC=C3C(=N2)N
InChI
InChI=1S/C15H21ClN4/c16-12-6-10-19(11-7-12)8-3-9-20-14-5-2-1-4-13(14)15(17)18-20/h1-2,4-5,12H,3,6-11H2,(H2,17,18)
InChIKey
FWDIFFOENBPXBC-UHFFFAOYSA-N
Compound name
1-[3-(4-chloropiperidin-1-yl)propyl]indazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

292.14548 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.15276 169.1
[M+Na]+ 315.13470 177.2
[M-H]- 291.13820 171.5
[M+NH4]+ 310.17930 183.8
[M+K]+ 331.10864 170.3
[M+H-H2O]+ 275.14274 159.4
[M+HCOO]- 337.14368 182.5
[M+CH3COO]- 351.15933 179.1
[M+Na-2H]- 313.12015 171.4
[M]+ 292.14493 168.2
[M]- 292.14603 168.2
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