CID 10450637

Chembl212921

Structural Information

Molecular Formula
C19H13FN2O4
SMILES
COC1=C2C(=C(C3=C1C=CC=N3)O)C(=O)N(C2=O)CC4=CC=C(C=C4)F
InChI
InChI=1S/C19H13FN2O4/c1-26-17-12-3-2-8-21-15(12)16(23)13-14(17)19(25)22(18(13)24)9-10-4-6-11(20)7-5-10/h2-8,23H,9H2,1H3
InChIKey
XLWGCKMTRJTQLH-UHFFFAOYSA-N
Compound name
7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxypyrrolo[3,4-g]quinoline-6,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

17
Patents

352.08594 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.09322 180.8
[M+Na]+ 375.07516 192.5
[M-H]- 351.07866 185.4
[M+NH4]+ 370.11976 194.6
[M+K]+ 391.04910 186.3
[M+H-H2O]+ 335.08320 171.2
[M+HCOO]- 397.08414 197.8
[M+CH3COO]- 411.09979 191.6
[M+Na-2H]- 373.06061 182.3
[M]+ 352.08539 183.6
[M]- 352.08649 183.6
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