CID 11820894

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

Structural Information

Molecular Formula
C21H26ClN5O2
SMILES
C=CCO/N=C/C1=CC=C(C=C1)OCCCN2CCN(CC2)C3=NN=C(C=C3)Cl
InChI
InChI=1S/C21H26ClN5O2/c1-2-15-29-23-17-18-4-6-19(7-5-18)28-16-3-10-26-11-13-27(14-12-26)21-9-8-20(22)24-25-21/h2,4-9,17H,1,3,10-16H2/b23-17+
InChIKey
FLPIALBTCWDPQO-HAVVHWLPSA-N
Compound name
(E)-1-[4-[3-[4-(6-chloropyridazin-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

415.1775 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.18478 201.0
[M+Na]+ 438.16672 205.9
[M-H]- 414.17022 204.5
[M+NH4]+ 433.21132 206.1
[M+K]+ 454.14066 198.6
[M+H-H2O]+ 398.17476 187.0
[M+HCOO]- 460.17570 212.8
[M+CH3COO]- 474.19135 226.8
[M+Na-2H]- 436.15217 203.1
[M]+ 415.17695 202.8
[M]- 415.17805 202.8
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.