CID 98553

Piperazine, 1-(3-amino-4-pyridyl)-4-(1-naphthyl)-

Structural Information

Molecular Formula
C19H20N4
SMILES
C1CN(CCN1C2=C(C=NC=C2)N)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C19H20N4/c20-17-14-21-9-8-19(17)23-12-10-22(11-13-23)18-7-3-5-15-4-1-2-6-16(15)18/h1-9,14H,10-13,20H2
InChIKey
QXWFYXOYZJRUQB-UHFFFAOYSA-N
Compound name
4-(4-naphthalen-1-ylpiperazin-1-yl)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.1688 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.176076 174.1
[M+Na]+ 327.158018 180.1
[M-H]- 303.161524 179.1
[M+NH4]+ 322.202623 184.5
[M+K]+ 343.131958 172.7
[M+H-H2O]+ 287.166060 161.9
[M+HCOO]- 349.167001 189.6
[M+CH3COO]- 363.182651 182.7
[M+Na-2H]- 325.143466 179.3
[M]+ 304.16825142 167.5
[M]- 304.16934858 167.5
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.