CID 11820881

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

Structural Information

Molecular Formula
C21H29N5O2
SMILES
CCO/N=C/C1=CC=C(C=C1)OCCCCN2CCN(CC2)C3=NN=CC=C3
InChI
InChI=1S/C21H29N5O2/c1-2-28-23-18-19-7-9-20(10-8-19)27-17-4-3-12-25-13-15-26(16-14-25)21-6-5-11-22-24-21/h5-11,18H,2-4,12-17H2,1H3/b23-18+
InChIKey
ULYYKFLXRPTMCT-PTGBLXJZSA-N
Compound name
(E)-N-ethoxy-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

383.23212 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.23940 195.3
[M+Na]+ 406.22134 198.3
[M-H]- 382.22484 198.7
[M+NH4]+ 401.26594 200.6
[M+K]+ 422.19528 192.8
[M+H-H2O]+ 366.22938 180.9
[M+HCOO]- 428.23032 211.6
[M+CH3COO]- 442.24597 222.9
[M+Na-2H]- 404.20679 198.7
[M]+ 383.23157 195.3
[M]- 383.23267 195.3
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.