CID 2188235

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

Structural Information

Molecular Formula
C23H20ClN3O2
SMILES
CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)Cl)/C(=O)NCC3=CN=CC=C3
InChI
InChI=1S/C23H20ClN3O2/c1-16-4-8-19(9-5-16)22(28)27-21(13-17-6-10-20(24)11-7-17)23(29)26-15-18-3-2-12-25-14-18/h2-14H,15H2,1H3,(H,26,29)(H,27,28)/b21-13-
InChIKey
DKMDFNGWAQILIG-BKUYFWCQSA-N
Compound name
N-[(Z)-1-(4-chlorophenyl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.1244 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.13168 197.4
[M+Na]+ 428.11362 202.0
[M-H]- 404.11712 204.9
[M+NH4]+ 423.15822 206.0
[M+K]+ 444.08756 194.8
[M+H-H2O]+ 388.12166 187.0
[M+HCOO]- 450.12260 214.1
[M+CH3COO]- 464.13825 225.7
[M+Na-2H]- 426.09907 198.9
[M]+ 405.12385 198.0
[M]- 405.12495 198.0
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.