CID 3086113

1h-pyrrole-2,5-dione, 1,1'-[(1-methylethylidene)bis(4,1-phenyleneoxy-4,1-phenylene)]bis-

Structural Information

Molecular Formula
C35H26N2O6
SMILES
CC(C)(C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C=CC3=O)C4=CC=C(C=C4)OC5=CC=C(C=C5)N6C(=O)C=CC6=O
InChI
InChI=1S/C35H26N2O6/c1-35(2,23-3-11-27(12-4-23)42-29-15-7-25(8-16-29)36-31(38)19-20-32(36)39)24-5-13-28(14-6-24)43-30-17-9-26(10-18-30)37-33(40)21-22-34(37)41/h3-22H,1-2H3
InChIKey
XAZPKEBWNIUCKF-UHFFFAOYSA-N
Compound name
1-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4618
Patents

570.1791 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.18638 237.4
[M+Na]+ 593.16832 243.4
[M-H]- 569.17182 254.5
[M+NH4]+ 588.21292 240.1
[M+K]+ 609.14226 237.7
[M+H-H2O]+ 553.17636 224.6
[M+HCOO]- 615.17730 254.5
[M+CH3COO]- 629.19295 244.4
[M+Na-2H]- 591.15377 231.6
[M]+ 570.17855 240.0
[M]- 570.17965 240.0
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.