CID 3034264

1h-pyrrole-2,5-dione, 1-(4-(5(or 6)-(2,5-dihydro-2,5-dioxo-1h-pyrrol-1-yl)-2,3-dihydro-1,3,3-trimethyl-1h-inden-1-yl)phenyl)-

Structural Information

Molecular Formula
C26H22N2O4
SMILES
CC1(CC(C2=C1C=C(C=C2)N3C(=O)C=CC3=O)(C)C4=CC=C(C=C4)N5C(=O)C=CC5=O)C
InChI
InChI=1S/C26H22N2O4/c1-25(2)15-26(3,16-4-6-17(7-5-16)27-21(29)10-11-22(27)30)19-9-8-18(14-20(19)25)28-23(31)12-13-24(28)32/h4-14H,15H2,1-3H3
InChIKey
GIBDRBXAOAMDPX-UHFFFAOYSA-N
Compound name
1-[4-[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethyl-2H-inden-1-yl]phenyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

426.15796 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.16524 198.6
[M+Na]+ 449.14718 210.0
[M-H]- 425.15068 212.3
[M+NH4]+ 444.19178 216.3
[M+K]+ 465.12112 203.7
[M+H-H2O]+ 409.15522 191.0
[M+HCOO]- 471.15616 218.3
[M+CH3COO]- 485.17181 210.1
[M+Na-2H]- 447.13263 193.7
[M]+ 426.15741 201.7
[M]- 426.15851 201.7
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

patents stripe