CID 6006384

N-(2-(4-cl-ph)-1-(((3-pyridinylmethyl)amino)carbonyl)vinyl)-4-methoxybenzamide

Structural Information

Molecular Formula
C23H20ClN3O3
SMILES
COC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)Cl)/C(=O)NCC3=CN=CC=C3
InChI
InChI=1S/C23H20ClN3O3/c1-30-20-10-6-18(7-11-20)22(28)27-21(13-16-4-8-19(24)9-5-16)23(29)26-15-17-3-2-12-25-14-17/h2-14H,15H2,1H3,(H,26,29)(H,27,28)/b21-13+
InChIKey
WYIWRIVWHBCIBM-FYJGNVAPSA-N
Compound name
N-[(E)-1-(4-chlorophenyl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.11932 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.12660 200.6
[M+Na]+ 444.10854 214.1
[M+NH4]+ 439.15314 206.4
[M+K]+ 460.08248 206.0
[M-H]- 420.11204 206.2
[M+Na-2H]- 442.09399 209.9
[M]+ 421.11877 204.2
[M]- 421.11987 204.2
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.