CID 113161

63227-27-0

Structural Information

Molecular Formula
C33H26N2O6
SMILES
CC(C)(C1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C)C4=CC=C(C=C4)OC5=CC=CC6=C5C(=O)N(C6=O)C
InChI
InChI=1S/C33H26N2O6/c1-33(2,19-8-12-21(13-9-19)40-23-16-17-24-26(18-23)31(38)34(3)29(24)36)20-10-14-22(15-11-20)41-27-7-5-6-25-28(27)32(39)35(4)30(25)37/h5-18H,1-4H3
InChIKey
UHDHUJWBXOCCPT-UHFFFAOYSA-N
Compound name
2-methyl-4-[4-[2-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

546.1791 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.18638 233.6
[M+Na]+ 569.16832 249.0
[M+NH4]+ 564.21292 238.6
[M+K]+ 585.14226 245.2
[M-H]- 545.17182 239.7
[M+Na-2H]- 567.15377 239.4
[M]+ 546.17855 237.6
[M]- 546.17965 237.6
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