CID 11820832

Benzaldehyde, 4-[2-[1-(6-methyl-2-pyridinyl)-4-piperidinyl]ethoxy]-, o-ethyloxime

Structural Information

Molecular Formula
C22H29N3O2
SMILES
CCO/N=C/C1=CC=C(C=C1)OCCC2CCN(CC2)C3=CC=CC(=N3)C
InChI
InChI=1S/C22H29N3O2/c1-3-27-23-17-20-7-9-21(10-8-20)26-16-13-19-11-14-25(15-12-19)22-6-4-5-18(2)24-22/h4-10,17,19H,3,11-16H2,1-2H3/b23-17+
InChIKey
SFTZWFUCVPNOAK-HAVVHWLPSA-N
Compound name
(E)-N-ethoxy-1-[4-[2-[1-(6-methylpyridin-2-yl)piperidin-4-yl]ethoxy]phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.22598 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.23326 192.1
[M+Na]+ 390.21520 195.7
[M-H]- 366.21870 198.7
[M+NH4]+ 385.25980 201.3
[M+K]+ 406.18914 190.8
[M+H-H2O]+ 350.22324 179.6
[M+HCOO]- 412.22418 211.0
[M+CH3COO]- 426.23983 221.6
[M+Na-2H]- 388.20065 194.0
[M]+ 367.22543 192.0
[M]- 367.22653 192.0
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.