CID 11820886

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

Structural Information

Molecular Formula
C23H31N5O2
SMILES
CC1=NN=C(C=C1)N2CCN(CC2)CCCCOC3=CC=C(C=C3)/C=N/OCC=C
InChI
InChI=1S/C23H31N5O2/c1-3-17-30-24-19-21-7-9-22(10-8-21)29-18-5-4-12-27-13-15-28(16-14-27)23-11-6-20(2)25-26-23/h3,6-11,19H,1,4-5,12-18H2,2H3/b24-19+
InChIKey
LQYDPWKKGFWXNJ-LYBHJNIJSA-N
Compound name
(E)-1-[4-[4-[4-(6-methylpyridazin-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

409.24777 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.25505 204.0
[M+Na]+ 432.23699 207.4
[M-H]- 408.24049 207.5
[M+NH4]+ 427.28159 208.5
[M+K]+ 448.21093 200.9
[M+H-H2O]+ 392.24503 189.6
[M+HCOO]- 454.24597 219.8
[M+CH3COO]- 468.26162 229.2
[M+Na-2H]- 430.22244 205.6
[M]+ 409.24722 204.4
[M]- 409.24832 204.4
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.