CID 11820885

Benzaldehyde, 4-[4-[4-(6-methyl-3-pyridazinyl)-1-piperazinyl]butoxy]-, o-ethyloxime

Structural Information

Molecular Formula
C22H31N5O2
SMILES
CCO/N=C/C1=CC=C(C=C1)OCCCCN2CCN(CC2)C3=NN=C(C=C3)C
InChI
InChI=1S/C22H31N5O2/c1-3-29-23-18-20-7-9-21(10-8-20)28-17-5-4-12-26-13-15-27(16-14-26)22-11-6-19(2)24-25-22/h6-11,18H,3-5,12-17H2,1-2H3/b23-18+
InChIKey
BRDFLWWVLDRFLD-PTGBLXJZSA-N
Compound name
(E)-N-ethoxy-1-[4-[4-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]butoxy]phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.24777 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.25505 200.7
[M+Na]+ 420.23699 204.3
[M-H]- 396.24049 204.4
[M+NH4]+ 415.28159 205.8
[M+K]+ 436.21093 198.6
[M+H-H2O]+ 380.24503 186.5
[M+HCOO]- 442.24597 216.7
[M+CH3COO]- 456.26162 226.9
[M+Na-2H]- 418.22244 202.9
[M]+ 397.24722 201.5
[M]- 397.24832 201.5
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.