CID 3060374

Brn 4519458

Structural Information

Molecular Formula
C17H22N4
SMILES
C1CN(CCN1CCC2=CC=CC=C2)C3=C(C=NC=C3)N
InChI
InChI=1S/C17H22N4/c18-16-14-19-8-6-17(16)21-12-10-20(11-13-21)9-7-15-4-2-1-3-5-15/h1-6,8,14H,7,9-13,18H2
InChIKey
OXLHZGWBYYUYPP-UHFFFAOYSA-N
Compound name
4-[4-(2-phenylethyl)piperazin-1-yl]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.18445 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.19173 169.8
[M+Na]+ 305.17367 183.9
[M+NH4]+ 300.21827 177.8
[M+K]+ 321.14761 175.3
[M-H]- 281.17717 175.7
[M+Na-2H]- 303.15912 179.6
[M]+ 282.18390 173.5
[M]- 282.18500 173.5
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.