CID 505654

(1,1-dimethyl-2-phenyl-ethyl) 4-[n-[(3,4-dichlorophenyl)methyl]-4-(dimethylcarbamoyl)anilino]-2,4-dioxo-butanoate

Structural Information

Molecular Formula
C30H30Cl2N2O5
SMILES
CC(C)(CC1=CC=CC=C1)OC(=O)C(=O)CC(=O)N(CC2=CC(=C(C=C2)Cl)Cl)C3=CC=C(C=C3)C(=O)N(C)C
InChI
InChI=1S/C30H30Cl2N2O5/c1-30(2,18-20-8-6-5-7-9-20)39-29(38)26(35)17-27(36)34(19-21-10-15-24(31)25(32)16-21)23-13-11-22(12-14-23)28(37)33(3)4/h5-16H,17-19H2,1-4H3
InChIKey
HWWAWWGDUJFUHX-UHFFFAOYSA-N
Compound name
(2-methyl-1-phenylpropan-2-yl) 4-[N-[(3,4-dichlorophenyl)methyl]-4-(dimethylcarbamoyl)anilino]-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

568.1532 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.16048 231.2
[M+Na]+ 591.14242 234.4
[M-H]- 567.14592 242.1
[M+NH4]+ 586.18702 236.6
[M+K]+ 607.11636 231.3
[M+H-H2O]+ 551.15046 222.0
[M+HCOO]- 613.15140 241.6
[M+CH3COO]- 627.16705 260.5
[M+Na-2H]- 589.12787 227.4
[M]+ 568.15265 241.3
[M]- 568.15375 241.3
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.