CID 112546

Einecs 263-823-6

Structural Information

Molecular Formula
C38H48N2O7
SMILES
CCC(C(=O)NC1=CC=CC(=C1)C(=O)C(C(=O)NC2=CC=CC=C2OC)OC(=O)C)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC
InChI
InChI=1S/C38H48N2O7/c1-10-30(47-31-21-20-26(37(5,6)11-2)23-28(31)38(7,8)12-3)35(43)39-27-17-15-16-25(22-27)33(42)34(46-24(4)41)36(44)40-29-18-13-14-19-32(29)45-9/h13-23,30,34H,10-12H2,1-9H3,(H,39,43)(H,40,44)
InChIKey
OPZPPMXBESQJPI-UHFFFAOYSA-N
Compound name
[1-[3-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]-3-(2-methoxyanilino)-1,3-dioxopropan-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

644.3461 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 645.35338 253.7
[M+Na]+ 667.33532 260.0
[M+NH4]+ 662.37992 253.9
[M+K]+ 683.30926 257.6
[M-H]- 643.33882 255.5
[M+Na-2H]- 665.32077 257.2
[M]+ 644.34555 254.7
[M]- 644.34665 254.7
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.