CID 11820891

Benzaldehyde, 4-[4-[4-(6-chloro-3-pyridazinyl)-1-piperazinyl]butoxy]-, o-2-propenyloxime

Structural Information

Molecular Formula
C22H28ClN5O2
SMILES
C=CCO/N=C/C1=CC=C(C=C1)OCCCCN2CCN(CC2)C3=NN=C(C=C3)Cl
InChI
InChI=1S/C22H28ClN5O2/c1-2-16-30-24-18-19-5-7-20(8-6-19)29-17-4-3-11-27-12-14-28(15-13-27)22-10-9-21(23)25-26-22/h2,5-10,18H,1,3-4,11-17H2/b24-18+
InChIKey
PJQVLJLGOSWZPN-HKOYGPOVSA-N
Compound name
(E)-1-[4-[4-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]butoxy]phenyl]-N-prop-2-enoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.19315 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.20043 205.2
[M+Na]+ 452.18237 209.5
[M-H]- 428.18587 208.5
[M+NH4]+ 447.22697 209.7
[M+K]+ 468.15631 202.0
[M+H-H2O]+ 412.19041 190.9
[M+HCOO]- 474.19135 216.6
[M+CH3COO]- 488.20700 229.7
[M+Na-2H]- 450.16782 206.8
[M]+ 429.19260 207.3
[M]- 429.19370 207.3
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.