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]+ 422.126596 199.8
[M+Na]+ 444.108538 204.2
[M-H]- 420.112044 207.3
[M+NH4]+ 439.153143 207.7
[M+K]+ 460.082478 197.8
[M+H-H2O]+ 404.116580 189.2
[M+HCOO]- 466.117521 216.7
[M+CH3COO]- 480.133171 227.9
[M+Na-2H]- 442.093986 201.4
[M]+ 421.11877142 201.7
[M]- 421.11986858 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.