CID 6435585

N-(3-pyridylmethyl)cinnamanilide hydrochloride

Structural Information

Molecular Formula
C21H18N2O
SMILES
C1=CC=C(C=C1)/C=C/C(=O)N(CC2=CN=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H18N2O/c24-21(14-13-18-8-3-1-4-9-18)23(20-11-5-2-6-12-20)17-19-10-7-15-22-16-19/h1-16H,17H2/b14-13+
InChIKey
FCTWUQCSHFQMFE-BUHFOSPRSA-N
Compound name
(E)-N,3-diphenyl-N-(pyridin-3-ylmethyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1419 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.14918 176.7
[M+Na]+ 337.13112 192.1
[M+NH4]+ 332.17572 185.0
[M+K]+ 353.10506 182.5
[M-H]- 313.13462 183.9
[M+Na-2H]- 335.11657 189.2
[M]+ 314.14135 181.0
[M]- 314.14245 181.0
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.