CID 80553076

1-[1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]piperidin-4-amine trihydrochloride

Structural Information

Molecular Formula
C14H21ClN4
SMILES
C1CN(CCC1N)C2CCN(C2)C3=NC=C(C=C3)Cl
InChI
InChI=1S/C14H21ClN4/c15-11-1-2-14(17-9-11)19-8-5-13(10-19)18-6-3-12(16)4-7-18/h1-2,9,12-13H,3-8,10,16H2
InChIKey
KVHKTNBMBCQBEU-UHFFFAOYSA-N
Compound name
1-[1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.14548 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.15276 167.9
[M+Na]+ 303.13470 173.1
[M-H]- 279.13820 171.7
[M+NH4]+ 298.17930 181.2
[M+K]+ 319.10864 167.2
[M+H-H2O]+ 263.14274 157.3
[M+HCOO]- 325.14368 178.7
[M+CH3COO]- 339.15933 176.8
[M+Na-2H]- 301.12015 166.9
[M]+ 280.14493 160.9
[M]- 280.14603 160.9
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

No patent data available for this compound.