CID 11820876

Benzaldehyde, 4-[2-[1-(6-phenyl-3-pyridazinyl)-4-piperidinyl]ethoxy]-, o-ethyloxime

Structural Information

Molecular Formula
C26H30N4O2
SMILES
CCO/N=C/C1=CC=C(C=C1)OCCC2CCN(CC2)C3=NN=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H30N4O2/c1-2-32-27-20-22-8-10-24(11-9-22)31-19-16-21-14-17-30(18-15-21)26-13-12-25(28-29-26)23-6-4-3-5-7-23/h3-13,20-21H,2,14-19H2,1H3/b27-20+
InChIKey
XVLBLDLGDJGKOO-NHFJDJAPSA-N
Compound name
(E)-N-ethoxy-1-[4-[2-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.23688 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.24416 208.1
[M+Na]+ 453.22610 210.9
[M-H]- 429.22960 215.7
[M+NH4]+ 448.27070 212.3
[M+K]+ 469.20004 204.0
[M+H-H2O]+ 413.23414 192.8
[M+HCOO]- 475.23508 225.0
[M+CH3COO]- 489.25073 214.3
[M+Na-2H]- 451.21155 210.3
[M]+ 430.23633 206.6
[M]- 430.23743 206.6
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.