CID 96134

Isophthaloyl bisphthalimide

Structural Information

Molecular Formula
C24H12N2O6
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)C(=O)C3=CC=CC=C3C(=O)N4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C24H12N2O6/c27-19-13-7-1-2-8-14(13)20(28)25(19)23(31)17-11-5-6-12-18(17)24(32)26-21(29)15-9-3-4-10-16(15)22(26)30/h1-12H
InChIKey
SRIIIFUSFCETPN-UHFFFAOYSA-N
Compound name
2-[2-(1,3-dioxoisoindole-2-carbonyl)benzoyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.06955 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.07683 196.8
[M+Na]+ 447.05877 206.2
[M-H]- 423.06227 207.4
[M+NH4]+ 442.10337 208.8
[M+K]+ 463.03271 201.1
[M+H-H2O]+ 407.06681 188.3
[M+HCOO]- 469.06775 214.2
[M+CH3COO]- 483.08340 207.0
[M+Na-2H]- 445.04422 193.4
[M]+ 424.06900 199.6
[M]- 424.07010 199.6
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

No patent data available for this compound.