CID 505239

3-[(3,4-dichloro-benzyl)-(3-oxo-3-pyridin-2-yl-propionyl)-amino]-n,n-dimethyl-benzamide

Structural Information

Molecular Formula
C24H21Cl2N3O3
SMILES
CN(C)C(=O)C1=CC(=CC=C1)N(CC2=CC(=C(C=C2)Cl)Cl)C(=O)CC(=O)C3=CC=CC=N3
InChI
InChI=1S/C24H21Cl2N3O3/c1-28(2)24(32)17-6-5-7-18(13-17)29(15-16-9-10-19(25)20(26)12-16)23(31)14-22(30)21-8-3-4-11-27-21/h3-13H,14-15H2,1-2H3
InChIKey
IRYDOVDFCBMHPF-UHFFFAOYSA-N
Compound name
3-[(3,4-dichlorophenyl)methyl-(3-oxo-3-pyridin-2-ylpropanoyl)amino]-N,N-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.096 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.10328 207.6
[M+Na]+ 492.08522 213.2
[M-H]- 468.08872 217.5
[M+NH4]+ 487.12982 215.7
[M+K]+ 508.05916 208.4
[M+H-H2O]+ 452.09326 197.5
[M+HCOO]- 514.09420 220.3
[M+CH3COO]- 528.10985 242.3
[M+Na-2H]- 490.07067 206.2
[M]+ 469.09545 214.8
[M]- 469.09655 214.8
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.