CID 15065657

Ec 402-260-4

Structural Information

Molecular Formula
C38H52ClN3O7
SMILES
CCC(C(=O)NC1=CC(=C(C=C1)NC(=O)C(C(=O)C(C)(C)C)N2C(=O)C(OC2=O)(C)C)Cl)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC
InChI
InChI=1S/C38H52ClN3O7/c1-13-27(48-28-19-16-22(36(7,8)14-2)20-24(28)37(9,10)15-3)31(44)40-23-17-18-26(25(39)21-23)41-32(45)29(30(43)35(4,5)6)42-33(46)38(11,12)49-34(42)47/h16-21,27,29H,13-15H2,1-12H3,(H,40,44)(H,41,45)
InChIKey
JZVIUOTVBBCUSZ-UHFFFAOYSA-N
Compound name
N-[4-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

697.34937 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 698.35665 259.9
[M+Na]+ 720.33859 260.7
[M-H]- 696.34209 268.4
[M+NH4]+ 715.38319 260.3
[M+K]+ 736.31253 261.0
[M+H-H2O]+ 680.34663 254.1
[M+HCOO]- 742.34757 263.7
[M+CH3COO]- 756.36322 287.3
[M+Na-2H]- 718.32404 255.2
[M]+ 697.34882 270.0
[M]- 697.34992 270.0
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.