CID 11820856

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

Structural Information

Molecular Formula
C21H28N4O3
SMILES
CCO/N=C/C1=CC=C(C=C1)OCCC2CCN(CC2)C3=NN=C(C=C3)OC
InChI
InChI=1S/C21H28N4O3/c1-3-28-22-16-18-4-6-19(7-5-18)27-15-12-17-10-13-25(14-11-17)20-8-9-21(26-2)24-23-20/h4-9,16-17H,3,10-15H2,1-2H3/b22-16+
InChIKey
CBUBUUDHAGRKQU-CJLVFECKSA-N
Compound name
(E)-N-ethoxy-1-[4-[2-[1-(6-methoxypyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.21616 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.22344 194.6
[M+Na]+ 407.20538 198.4
[M-H]- 383.20888 200.0
[M+NH4]+ 402.24998 201.6
[M+K]+ 423.17932 194.1
[M+H-H2O]+ 367.21342 181.2
[M+HCOO]- 429.21436 212.6
[M+CH3COO]- 443.23001 223.4
[M+Na-2H]- 405.19083 197.3
[M]+ 384.21561 196.0
[M]- 384.21671 196.0
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.