CID 5727668

307348-41-0

Structural Information

Molecular Formula
C17H20N4
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)/N=C/C3=CN=CC=C3
InChI
InChI=1S/C17H20N4/c1-15-4-6-17(7-5-15)20-9-11-21(12-10-20)19-14-16-3-2-8-18-13-16/h2-8,13-14H,9-12H2,1H3/b19-14+
InChIKey
ZRUKDUWJEAIJOP-XMHGGMMESA-N
Compound name
(E)-N-[4-(4-methylphenyl)piperazin-1-yl]-1-pyridin-3-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

280.1688 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.17608 168.4
[M+Na]+ 303.15802 173.7
[M-H]- 279.16152 174.1
[M+NH4]+ 298.20262 179.7
[M+K]+ 319.13196 168.2
[M+H-H2O]+ 263.16606 156.2
[M+HCOO]- 325.16700 187.2
[M+CH3COO]- 339.18265 178.0
[M+Na-2H]- 301.14347 173.7
[M]+ 280.16825 164.0
[M]- 280.16935 164.0
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

No patent data available for this compound.