CID 11820883

Benzaldehyde, 4-[4-[4-(3-pyridazinyl)-1-piperazinyl]butoxy]-, o-2-propenyloxime

Structural Information

Molecular Formula
C22H29N5O2
SMILES
C=CCO/N=C/C1=CC=C(C=C1)OCCCCN2CCN(CC2)C3=NN=CC=C3
InChI
InChI=1S/C22H29N5O2/c1-2-17-29-24-19-20-7-9-21(10-8-20)28-18-4-3-12-26-13-15-27(16-14-26)22-6-5-11-23-25-22/h2,5-11,19H,1,3-4,12-18H2/b24-19+
InChIKey
FEOBNXMRBJXIKI-LYBHJNIJSA-N
Compound name
(E)-N-prop-2-enoxy-1-[4-[4-(4-pyridazin-3-ylpiperazin-1-yl)butoxy]phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.23212 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.23940 198.6
[M+Na]+ 418.22134 201.4
[M-H]- 394.22484 201.8
[M+NH4]+ 413.26594 203.3
[M+K]+ 434.19528 195.2
[M+H-H2O]+ 378.22938 184.1
[M+HCOO]- 440.23032 214.7
[M+CH3COO]- 454.24597 225.1
[M+Na-2H]- 416.20679 201.5
[M]+ 395.23157 198.2
[M]- 395.23267 198.2
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.