CID 119652

1h-isoindole-1,3(2h)-dione, 5,5'-oxybis[2-methyl-

Structural Information

Molecular Formula
C18H12N2O5
SMILES
CN1C(=O)C2=C(C1=O)C=C(C=C2)OC3=CC4=C(C=C3)C(=O)N(C4=O)C
InChI
InChI=1S/C18H12N2O5/c1-19-15(21)11-5-3-9(7-13(11)17(19)23)25-10-4-6-12-14(8-10)18(24)20(2)16(12)22/h3-8H,1-2H3
InChIKey
QJAIYFPUROVPKE-UHFFFAOYSA-N
Compound name
2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

120
Patents

336.07462 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.08190 174.7
[M+Na]+ 359.06384 187.2
[M-H]- 335.06734 182.6
[M+NH4]+ 354.10844 191.9
[M+K]+ 375.03778 182.5
[M+H-H2O]+ 319.07188 168.0
[M+HCOO]- 381.07282 194.6
[M+CH3COO]- 395.08847 212.8
[M+Na-2H]- 357.04929 173.8
[M]+ 336.07407 180.0
[M]- 336.07517 180.0
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.