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]+ 410.255046 204.0
[M+Na]+ 432.236988 207.4
[M-H]- 408.240494 207.5
[M+NH4]+ 427.281593 208.5
[M+K]+ 448.210928 200.9
[M+H-H2O]+ 392.245030 189.6
[M+HCOO]- 454.245971 219.8
[M+CH3COO]- 468.261621 229.2
[M+Na-2H]- 430.222436 205.6
[M]+ 409.24722142 204.4
[M]- 409.24831858 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.