CID 11820873

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

Structural Information

Molecular Formula
C23H30N4O2
SMILES
CC1=NN=C(C=C1)N2CCC(CC2)CCOC3=C(C=C(C=C3)/C=N/OCC=C)C
InChI
InChI=1S/C23H30N4O2/c1-4-14-29-24-17-21-6-7-22(18(2)16-21)28-15-11-20-9-12-27(13-10-20)23-8-5-19(3)25-26-23/h4-8,16-17,20H,1,9-15H2,2-3H3/b24-17+
InChIKey
NRKBTUMGUKOZSD-JJIBRWJFSA-N
Compound name
(E)-1-[3-methyl-4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]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 200.6
[M+Na]+ 417.22610 205.0
[M-H]- 393.22960 206.0
[M+NH4]+ 412.27070 207.5
[M+K]+ 433.20004 198.9
[M+H-H2O]+ 377.23414 187.3
[M+HCOO]- 439.23508 217.9
[M+CH3COO]- 453.25073 227.7
[M+Na-2H]- 415.21155 201.4
[M]+ 394.23633 201.1
[M]- 394.23743 201.1
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.