CID 11820889

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

Structural Information

Molecular Formula
C22H29N5O2
SMILES
CC1=NN=C(C=C1)N2CCN(CC2)CCCOC3=CC=C(C=C3)/C=N/OCC=C
InChI
InChI=1S/C22H29N5O2/c1-3-16-29-23-18-20-6-8-21(9-7-20)28-17-4-11-26-12-14-27(15-13-26)22-10-5-19(2)24-25-22/h3,5-10,18H,1,4,11-17H2,2H3/b23-18+
InChIKey
JMJKKUXNSKHGNR-PTGBLXJZSA-N
Compound name
(E)-1-[4-[3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propoxy]phenyl]-N-prop-2-enoxymethanimine
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 199.9
[M+Na]+ 418.22134 203.7
[M-H]- 394.22484 203.6
[M+NH4]+ 413.26594 204.9
[M+K]+ 434.19528 197.4
[M+H-H2O]+ 378.22938 185.7
[M+HCOO]- 440.23032 216.0
[M+CH3COO]- 454.24597 226.3
[M+Na-2H]- 416.20679 202.0
[M]+ 395.23157 199.9
[M]- 395.23267 199.9
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.