CID 505243

3-[(3-chlorophenyl)methyl-[3-(4-methoxy-2-pyridyl)-3-oxo-propanoyl]amino]-n,n-dimethyl-benzamide

Structural Information

Molecular Formula
C25H24ClN3O4
SMILES
CN(C)C(=O)C1=CC(=CC=C1)N(CC2=CC(=CC=C2)Cl)C(=O)CC(=O)C3=NC=CC(=C3)OC
InChI
InChI=1S/C25H24ClN3O4/c1-28(2)25(32)18-7-5-9-20(13-18)29(16-17-6-4-8-19(26)12-17)24(31)15-23(30)22-14-21(33-3)10-11-27-22/h4-14H,15-16H2,1-3H3
InChIKey
AXCYMNIAQNCVTP-UHFFFAOYSA-N
Compound name
3-[(3-chlorophenyl)methyl-[3-(4-methoxypyridin-2-yl)-3-oxopropanoyl]amino]-N,N-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.14554 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.15282 210.2
[M+Na]+ 488.13476 214.6
[M-H]- 464.13826 220.6
[M+NH4]+ 483.17936 217.6
[M+K]+ 504.10870 211.5
[M+H-H2O]+ 448.14280 199.0
[M+HCOO]- 510.14374 227.6
[M+CH3COO]- 524.15939 243.9
[M+Na-2H]- 486.12021 208.9
[M]+ 465.14499 217.3
[M]- 465.14609 217.3
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.