CID 11820905

Benzaldehyde, 3-[3-[1-(3-pyridazinyl)-4-piperidinyl]propoxy]-, o-methyloxime

Structural Information

Molecular Formula
C20H26N4O2
SMILES
CO/N=C/C1=CC(=CC=C1)OCCCC2CCN(CC2)C3=NN=CC=C3
InChI
InChI=1S/C20H26N4O2/c1-25-22-16-18-5-2-7-19(15-18)26-14-4-6-17-9-12-24(13-10-17)20-8-3-11-21-23-20/h2-3,5,7-8,11,15-17H,4,6,9-10,12-14H2,1H3/b22-16+
InChIKey
GIJSPOPNHINMTN-CJLVFECKSA-N
Compound name
(E)-N-methoxy-1-[3-[3-(1-pyridazin-3-ylpiperidin-4-yl)propoxy]phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.20557 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.21285 186.9
[M+Na]+ 377.19479 190.4
[M-H]- 353.19829 192.0
[M+NH4]+ 372.23939 194.9
[M+K]+ 393.16873 185.6
[M+H-H2O]+ 337.20283 173.7
[M+HCOO]- 399.20377 205.0
[M+CH3COO]- 413.21942 217.2
[M+Na-2H]- 375.18024 190.8
[M]+ 354.20502 186.2
[M]- 354.20612 186.2
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.