CID 11820882

Benzaldehyde, 4-[3-[4-(3-pyridazinyl)-1-piperazinyl]propoxy]-, o-ethyloxime

Structural Information

Molecular Formula
C20H27N5O2
SMILES
CCO/N=C/C1=CC=C(C=C1)OCCCN2CCN(CC2)C3=NN=CC=C3
InChI
InChI=1S/C20H27N5O2/c1-2-27-22-17-18-6-8-19(9-7-18)26-16-4-11-24-12-14-25(15-13-24)20-5-3-10-21-23-20/h3,5-10,17H,2,4,11-16H2,1H3/b22-17+
InChIKey
ZVBWJBBXYFMBBG-OQKWZONESA-N
Compound name
(E)-N-ethoxy-1-[4-[3-(4-pyridazin-3-ylpiperazin-1-yl)propoxy]phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.21646 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.22374 191.1
[M+Na]+ 392.20568 194.6
[M-H]- 368.20918 194.7
[M+NH4]+ 387.25028 197.0
[M+K]+ 408.17962 189.4
[M+H-H2O]+ 352.21372 177.0
[M+HCOO]- 414.21466 207.8
[M+CH3COO]- 428.23031 220.0
[M+Na-2H]- 390.19113 195.1
[M]+ 369.21591 190.8
[M]- 369.21701 190.8
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.