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]+ 384.239396 195.3
[M+Na]+ 406.221338 198.3
[M-H]- 382.224844 198.7
[M+NH4]+ 401.265943 200.6
[M+K]+ 422.195278 192.8
[M+H-H2O]+ 366.229380 180.9
[M+HCOO]- 428.230321 211.6
[M+CH3COO]- 442.245971 222.9
[M+Na-2H]- 404.206786 198.7
[M]+ 383.23157142 195.3
[M]- 383.23266858 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.