CID 204272

16019-53-7

Structural Information

Molecular Formula
C15H17ClN4
SMILES
C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C=NC=C3)N
InChI
InChI=1S/C15H17ClN4/c16-12-2-1-3-13(10-12)19-6-8-20(9-7-19)15-4-5-18-11-14(15)17/h1-5,10-11H,6-9,17H2
InChIKey
CFWROSPUGSKJSY-UHFFFAOYSA-N
Compound name
4-[4-(3-chlorophenyl)piperazin-1-yl]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.11417 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.121446 167.8
[M+Na]+ 311.103388 174.9
[M-H]- 287.106894 172.0
[M+NH4]+ 306.147993 179.1
[M+K]+ 327.077328 167.8
[M+H-H2O]+ 271.111430 156.9
[M+HCOO]- 333.112371 180.4
[M+CH3COO]- 347.128021 177.2
[M+Na-2H]- 309.088836 171.5
[M]+ 288.11362142 163.4
[M]- 288.11471858 163.4
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

No patent data available for this compound.