CID 9570325

N-(alpha-(1-methyl-1-piperidinoethyl)benzilidene)cinnamamide monohydrochloride

Structural Information

Molecular Formula
C24H28N2O
SMILES
CC(C)(C(=NC(=O)/C=C/C1=CC=CC=C1)C2=CC=CC=C2)N3CCCCC3
InChI
InChI=1S/C24H28N2O/c1-24(2,26-18-10-5-11-19-26)23(21-14-8-4-9-15-21)25-22(27)17-16-20-12-6-3-7-13-20/h3-4,6-9,12-17H,5,10-11,18-19H2,1-2H3/b17-16+,25-23?
InChIKey
NAKBZKBDZFDVNS-KPTHTWDUSA-N
Compound name
(E)-N-(2-methyl-1-phenyl-2-piperidin-1-ylpropylidene)-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.22015 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.22743 190.4
[M+Na]+ 383.20937 191.1
[M-H]- 359.21287 197.6
[M+NH4]+ 378.25397 200.5
[M+K]+ 399.18331 185.8
[M+H-H2O]+ 343.21741 179.5
[M+HCOO]- 405.21835 206.7
[M+CH3COO]- 419.23400 218.5
[M+Na-2H]- 381.19482 192.0
[M]+ 360.21960 184.8
[M]- 360.22070 184.8
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.