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]+ 370.223736 191.1
[M+Na]+ 392.205678 194.6
[M-H]- 368.209184 194.7
[M+NH4]+ 387.250283 197.0
[M+K]+ 408.179618 189.4
[M+H-H2O]+ 352.213720 177.0
[M+HCOO]- 414.214661 207.8
[M+CH3COO]- 428.230311 220.0
[M+Na-2H]- 390.191126 195.1
[M]+ 369.21591142 190.8
[M]- 369.21700858 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.