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]+ 355.108876 181.8
[M+Na]+ 377.090818 192.9
[M-H]- 353.094324 185.2
[M+NH4]+ 372.135423 195.0
[M+K]+ 393.064758 186.5
[M+H-H2O]+ 337.098860 172.6
[M+HCOO]- 399.099801 197.2
[M+CH3COO]- 413.115451 192.0
[M+Na-2H]- 375.076266 183.0
[M]+ 354.10105142 183.6
[M]- 354.10214858 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