CID 504964

3-[(3,4-dichloro-benzyl)-(3,4-dioxo-4-phenyl-butyryl)-amino]-n,n-dimethyl-benzamide

Structural Information

Molecular Formula
C26H22Cl2N2O4
SMILES
CN(C)C(=O)C1=CC(=CC=C1)N(CC2=CC(=C(C=C2)Cl)Cl)C(=O)CC(=O)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C26H22Cl2N2O4/c1-29(2)26(34)19-9-6-10-20(14-19)30(16-17-11-12-21(27)22(28)13-17)24(32)15-23(31)25(33)18-7-4-3-5-8-18/h3-14H,15-16H2,1-2H3
InChIKey
VZVRFXRXNSRASJ-UHFFFAOYSA-N
Compound name
3-[(3,4-dichlorophenyl)methyl-(3,4-dioxo-4-phenylbutanoyl)amino]-N,N-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.09567 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.10295 213.8
[M+Na]+ 519.08489 218.5
[M-H]- 495.08839 224.9
[M+NH4]+ 514.12949 221.9
[M+K]+ 535.05883 214.4
[M+H-H2O]+ 479.09293 204.8
[M+HCOO]- 541.09387 226.7
[M+CH3COO]- 555.10952 247.7
[M+Na-2H]- 517.07034 210.3
[M]+ 496.09512 221.7
[M]- 496.09622 221.7
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.