CID 6886426

Stl361982

Structural Information

Molecular Formula
C17H20N4O
SMILES
COC1=CC=CC=C1/C=N/N2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C17H20N4O/c1-22-16-7-3-2-6-15(16)14-19-21-12-10-20(11-13-21)17-8-4-5-9-18-17/h2-9,14H,10-13H2,1H3/b19-14+
InChIKey
JKXKSVALDAZXCY-XMHGGMMESA-N
Compound name
(E)-1-(2-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1637 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.170976 171.3
[M+Na]+ 319.152918 176.5
[M-H]- 295.156424 177.1
[M+NH4]+ 314.197523 181.9
[M+K]+ 335.126858 171.6
[M+H-H2O]+ 279.160960 159.0
[M+HCOO]- 341.161901 190.4
[M+CH3COO]- 355.177551 180.8
[M+Na-2H]- 317.138366 176.7
[M]+ 296.16315142 168.3
[M]- 296.16424858 168.3
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.