CID 10383471

Chembl212000

Structural Information

Molecular Formula
C19H15FN2O4
SMILES
COC1=C2C(N(C(=O)C2=C(C3=C1C=CC=N3)O)CC4=CC=C(C=C4)F)O
InChI
InChI=1S/C19H15FN2O4/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/h2-8,19,23,25H,9H2,1H3
InChIKey
OMYDADTZOQJGJY-UHFFFAOYSA-N
Compound name
7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

354.1016 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.10888 181.8
[M+Na]+ 377.09082 192.9
[M-H]- 353.09432 185.2
[M+NH4]+ 372.13542 195.0
[M+K]+ 393.06476 186.5
[M+H-H2O]+ 337.09886 172.6
[M+HCOO]- 399.09980 197.2
[M+CH3COO]- 413.11545 192.0
[M+Na-2H]- 375.07627 183.0
[M]+ 354.10105 183.6
[M]- 354.10215 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.