CID 6096826

Chembl174793

Structural Information

Molecular Formula
C23H14FN3O4
SMILES
C1=CC=C(C(=C1)C2=CC=CC(=C2)CN3C(=O)C4=C(C3=O)C(=O)C5=C(C4=O)NC=CN5)F
InChI
InChI=1S/C23H14FN3O4/c24-15-7-2-1-6-14(15)13-5-3-4-12(10-13)11-27-22(30)16-17(23(27)31)21(29)19-18(20(16)28)25-8-9-26-19/h1-10,25-26H,11H2
InChIKey
UMFJSMHXOFMKGW-UHFFFAOYSA-N
Compound name
7-[[3-(2-fluorophenyl)phenyl]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

4
Patents

415.09683 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.10411 198.8
[M+Na]+ 438.08605 212.4
[M-H]- 414.08955 204.9
[M+NH4]+ 433.13065 207.4
[M+K]+ 454.05999 202.6
[M+H-H2O]+ 398.09409 187.1
[M+HCOO]- 460.09503 215.4
[M+CH3COO]- 474.11068 208.3
[M+Na-2H]- 436.07150 200.7
[M]+ 415.09628 200.7
[M]- 415.09738 200.7
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