CID 6475168

Akos008846729

Structural Information

Molecular Formula
C20H22N2O2
SMILES
C1COCCN1CC2=CC(=CC=C2)NC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C20H22N2O2/c23-20(10-9-17-5-2-1-3-6-17)21-19-8-4-7-18(15-19)16-22-11-13-24-14-12-22/h1-10,15H,11-14,16H2,(H,21,23)/b10-9+
InChIKey
DADZPLCPNFENJB-MDZDMXLPSA-N
Compound name
(E)-N-[3-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.16812 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 178.5
[M+Na]+ 345.15734 181.1
[M-H]- 321.16084 185.7
[M+NH4]+ 340.20194 188.4
[M+K]+ 361.13128 176.9
[M+H-H2O]+ 305.16538 167.8
[M+HCOO]- 367.16632 196.4
[M+CH3COO]- 381.18197 207.8
[M+Na-2H]- 343.14279 182.0
[M]+ 322.16757 174.0
[M]- 322.16867 174.0
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.