CID 6861891

307329-51-7

Structural Information

Molecular Formula
C16H17ClN4
SMILES
C1CN(CCN1C2=CC=C(C=C2)Cl)/N=C/C3=CC=NC=C3
InChI
InChI=1S/C16H17ClN4/c17-15-1-3-16(4-2-15)20-9-11-21(12-10-20)19-13-14-5-7-18-8-6-14/h1-8,13H,9-12H2/b19-13+
InChIKey
AAJNCMAXGCXPSF-CPNJWEJPSA-N
Compound name
(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-4-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

300.11417 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12145 170.6
[M+Na]+ 323.10339 176.9
[M-H]- 299.10689 176.0
[M+NH4]+ 318.14799 181.9
[M+K]+ 339.07733 170.2
[M+H-H2O]+ 283.11143 158.6
[M+HCOO]- 345.11237 185.0
[M+CH3COO]- 359.12802 180.1
[M+Na-2H]- 321.08884 175.8
[M]+ 300.11362 167.9
[M]- 300.11472 167.9
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.