CID 3034264

108250-25-5

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
1
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 199.6
[M+Na]+ 449.14718 212.7
[M+NH4]+ 444.19178 208.6
[M+K]+ 465.12112 207.7
[M-H]- 425.15068 204.8
[M+Na-2H]- 447.13263 207.9
[M]+ 426.15741 203.2
[M]- 426.15851 203.2
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