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 199.8
[M+Na]+ 444.10854 204.2
[M-H]- 420.11204 207.3
[M+NH4]+ 439.15314 207.7
[M+K]+ 460.08248 197.8
[M+H-H2O]+ 404.11658 189.2
[M+HCOO]- 466.11752 216.7
[M+CH3COO]- 480.13317 227.9
[M+Na-2H]- 442.09399 201.4
[M]+ 421.11877 201.7
[M]- 421.11987 201.7
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.