CID 203478

14549-64-5

Structural Information

Molecular Formula
C15H18N4
SMILES
C1CN(CCN1C2=CC=CC=C2)C3=C(C=CC=N3)N
InChI
InChI=1S/C15H18N4/c16-14-7-4-8-17-15(14)19-11-9-18(10-12-19)13-5-2-1-3-6-13/h1-8H,9-12,16H2
InChIKey
YVAQFMDOZSVQLG-UHFFFAOYSA-N
Compound name
2-(4-phenylpiperazin-1-yl)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

254.15315 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.16043 160.7
[M+Na]+ 277.14237 166.2
[M-H]- 253.14587 165.0
[M+NH4]+ 272.18697 172.2
[M+K]+ 293.11631 160.6
[M+H-H2O]+ 237.15041 149.5
[M+HCOO]- 299.15135 178.0
[M+CH3COO]- 313.16700 170.3
[M+Na-2H]- 275.12782 165.8
[M]+ 254.15260 153.8
[M]- 254.15370 153.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe