CID 11820887

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

Structural Information

Molecular Formula
C20H27N5O2
SMILES
CC1=NN=C(C=C1)N2CCN(CC2)CCCOC3=CC=C(C=C3)/C=N/OC
InChI
InChI=1S/C20H27N5O2/c1-17-4-9-20(23-22-17)25-13-11-24(12-14-25)10-3-15-27-19-7-5-18(6-8-19)16-21-26-2/h4-9,16H,3,10-15H2,1-2H3/b21-16+
InChIKey
PICVVJFVRNCCOO-LTGZKZEYSA-N
Compound name
(E)-N-methoxy-1-[4-[3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propoxy]phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.21646 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.22374 192.4
[M+Na]+ 392.20568 196.9
[M-H]- 368.20918 196.5
[M+NH4]+ 387.25028 198.7
[M+K]+ 408.17962 191.6
[M+H-H2O]+ 352.21372 178.6
[M+HCOO]- 414.21466 209.1
[M+CH3COO]- 428.23031 221.2
[M+Na-2H]- 390.19113 195.6
[M]+ 369.21591 192.6
[M]- 369.21701 192.6
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.