CID 505166

3-[(3,4-dichlorophenyl)methyl-[3-oxo-3-(1-phenylimidazol-2-yl)propanoyl]amino]-n,n-dimethyl-benzamide

Structural Information

Molecular Formula
C28H24Cl2N4O3
SMILES
CN(C)C(=O)C1=CC(=CC=C1)N(CC2=CC(=C(C=C2)Cl)Cl)C(=O)CC(=O)C3=NC=CN3C4=CC=CC=C4
InChI
InChI=1S/C28H24Cl2N4O3/c1-32(2)28(37)20-7-6-10-22(16-20)34(18-19-11-12-23(29)24(30)15-19)26(36)17-25(35)27-31-13-14-33(27)21-8-4-3-5-9-21/h3-16H,17-18H2,1-2H3
InChIKey
LMXWRXNGFXQMJL-UHFFFAOYSA-N
Compound name
3-[(3,4-dichlorophenyl)methyl-[3-oxo-3-(1-phenylimidazol-2-yl)propanoyl]amino]-N,N-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.12256 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.12984 225.5
[M+Na]+ 557.11178 230.7
[M-H]- 533.11528 237.4
[M+NH4]+ 552.15638 230.9
[M+K]+ 573.08572 225.1
[M+H-H2O]+ 517.11982 213.5
[M+HCOO]- 579.12076 237.2
[M+CH3COO]- 593.13641 253.0
[M+Na-2H]- 555.09723 221.3
[M]+ 534.12201 233.0
[M]- 534.12311 233.0
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.