CID 6096828

Chembl367945

Structural Information

Molecular Formula
C23H15N3O4
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)CN3C(=O)C4=C(C3=O)C(=O)C5=C(C4=O)NC=CN5
InChI
InChI=1S/C23H15N3O4/c27-20-16-17(21(28)19-18(20)24-10-11-25-19)23(30)26(22(16)29)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11,24-25H,12H2
InChIKey
OYQNPHAKTACGIK-UHFFFAOYSA-N
Compound name
7-[(4-phenylphenyl)methyl]-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

397.10626 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.11354 194.7
[M+Na]+ 420.09548 207.5
[M-H]- 396.09898 201.9
[M+NH4]+ 415.14008 203.9
[M+K]+ 436.06942 198.1
[M+H-H2O]+ 380.10352 183.9
[M+HCOO]- 442.10446 212.5
[M+CH3COO]- 456.12011 204.6
[M+Na-2H]- 418.08093 198.0
[M]+ 397.10571 197.1
[M]- 397.10681 197.1
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