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

116
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

literature stripe

Patent stripe

patents stripe