CID 11820902

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

Structural Information

Molecular Formula
C23H30N4O2
SMILES
CC1=NN=C(C=C1)N2CCC(CC2)CCCOC3=CC=CC(=C3)/C=N/OCC=C
InChI
InChI=1S/C23H30N4O2/c1-3-15-29-24-18-21-6-4-8-22(17-21)28-16-5-7-20-11-13-27(14-12-20)23-10-9-19(2)25-26-23/h3-4,6,8-10,17-18,20H,1,5,7,11-16H2,2H3/b24-18+
InChIKey
TYNVRGROQIVAGB-HKOYGPOVSA-N
Compound name
(E)-1-[3-[3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propoxy]phenyl]-N-prop-2-enoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.23688 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.24416 199.7
[M+Na]+ 417.22610 203.1
[M-H]- 393.22960 204.7
[M+NH4]+ 412.27070 206.3
[M+K]+ 433.20004 197.0
[M+H-H2O]+ 377.23414 186.2
[M+HCOO]- 439.23508 217.0
[M+CH3COO]- 453.25073 226.5
[M+Na-2H]- 415.21155 201.3
[M]+ 394.23633 199.7
[M]- 394.23743 199.7
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.