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]+ 361.227426 190.4
[M+Na]+ 383.209368 191.1
[M-H]- 359.212874 197.6
[M+NH4]+ 378.253973 200.5
[M+K]+ 399.183308 185.8
[M+H-H2O]+ 343.217410 179.5
[M+HCOO]- 405.218351 206.7
[M+CH3COO]- 419.234001 218.5
[M+Na-2H]- 381.194816 192.0
[M]+ 360.21960142 184.8
[M]- 360.22069858 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.