CID 6435642

N-((1-methyl-2-piperidyl)methyl)cinnamanilide hydrochloride

Structural Information

Molecular Formula
C22H26N2O
SMILES
CN1CCCCC1CN(C2=CC=CC=C2)C(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C22H26N2O/c1-23-17-9-8-14-21(23)18-24(20-12-6-3-7-13-20)22(25)16-15-19-10-4-2-5-11-19/h2-7,10-13,15-16,21H,8-9,14,17-18H2,1H3/b16-15+
InChIKey
UTRLTESUNOMYMB-FOCLMDBBSA-N
Compound name
(E)-N-[(1-methylpiperidin-2-yl)methyl]-N,3-diphenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.2045 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.21178 183.4
[M+Na]+ 357.19372 185.1
[M-H]- 333.19722 190.9
[M+NH4]+ 352.23832 194.7
[M+K]+ 373.16766 180.2
[M+H-H2O]+ 317.20176 172.2
[M+HCOO]- 379.20270 201.7
[M+CH3COO]- 393.21835 214.8
[M+Na-2H]- 355.17917 184.4
[M]+ 334.20395 178.7
[M]- 334.20505 178.7
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.