CID 108353

55697-63-7

Structural Information

Molecular Formula
C43H55ClN4O6
SMILES
CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC(=C(C=C2)Cl)NC(=O)C(C(=O)C(C)(C)C)N3C(=O)CN(C3=O)CC4=CC=CC=C4)C(C)(C)CC
InChI
InChI=1S/C43H55ClN4O6/c1-10-42(6,7)29-19-22-34(31(24-29)43(8,9)11-2)54-23-15-18-35(49)45-30-20-21-32(44)33(25-30)46-39(52)37(38(51)41(3,4)5)48-36(50)27-47(40(48)53)26-28-16-13-12-14-17-28/h12-14,16-17,19-22,24-25,37H,10-11,15,18,23,26-27H2,1-9H3,(H,45,49)(H,46,52)
InChIKey
CTWHFIFQHWDRFV-UHFFFAOYSA-N
Compound name
2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-4,4-dimethyl-3-oxopentanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

758.38104 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 759.38832 280.6
[M+Na]+ 781.37026 278.8
[M-H]- 757.37376 289.4
[M+NH4]+ 776.41486 275.5
[M+K]+ 797.34420 275.6
[M+H-H2O]+ 741.37830 269.9
[M+HCOO]- 803.37924 283.7
[M+CH3COO]- 817.39489 296.4
[M+Na-2H]- 779.35571 273.7
[M]+ 758.38049 287.9
[M]- 758.38159 287.9
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

patents stripe