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]+ 370.223736 192.4
[M+Na]+ 392.205678 196.9
[M-H]- 368.209184 196.5
[M+NH4]+ 387.250283 198.7
[M+K]+ 408.179618 191.6
[M+H-H2O]+ 352.213720 178.6
[M+HCOO]- 414.214661 209.1
[M+CH3COO]- 428.230311 221.2
[M+Na-2H]- 390.191126 195.6
[M]+ 369.21591142 192.6
[M]- 369.21700858 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.