CID 60870212

5-[4-(5-chloropyridin-2-yl)piperazin-1-yl]pyridin-2-amine

Structural Information

Molecular Formula
C14H16ClN5
SMILES
C1CN(CCN1C2=CN=C(C=C2)N)C3=NC=C(C=C3)Cl
InChI
InChI=1S/C14H16ClN5/c15-11-1-4-14(18-9-11)20-7-5-19(6-8-20)12-2-3-13(16)17-10-12/h1-4,9-10H,5-8H2,(H2,16,17)
InChIKey
VOLMFMCSPPJNPV-UHFFFAOYSA-N
Compound name
5-[4-(5-chloropyridin-2-yl)piperazin-1-yl]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.10944 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.11672 168.0
[M+Na]+ 312.09866 175.5
[M-H]- 288.10216 170.9
[M+NH4]+ 307.14326 177.8
[M+K]+ 328.07260 168.3
[M+H-H2O]+ 272.10670 156.3
[M+HCOO]- 334.10764 179.4
[M+CH3COO]- 348.12329 177.0
[M+Na-2H]- 310.08411 172.2
[M]+ 289.10889 163.6
[M]- 289.10999 163.6
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.