CID 204273

Brn 0623299

Structural Information

Molecular Formula
C16H20N4O
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=CC=N3)N
InChI
InChI=1S/C16H20N4O/c1-21-14-6-4-13(5-7-14)19-9-11-20(12-10-19)16-15(17)3-2-8-18-16/h2-8H,9-12,17H2,1H3
InChIKey
ADGKMYLAEJZBAI-UHFFFAOYSA-N
Compound name
2-[4-(4-methoxyphenyl)piperazin-1-yl]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1637 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.17098 168.7
[M+Na]+ 307.15292 182.8
[M+NH4]+ 302.19752 176.2
[M+K]+ 323.12686 175.2
[M-H]- 283.15642 174.2
[M+Na-2H]- 305.13837 178.0
[M]+ 284.16315 172.2
[M]- 284.16425 172.2
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.