CID 10404848

Chembl209440

Structural Information

Molecular Formula
C19H15FN2O3
SMILES
COC1=C2CN(C(=O)C2=C(C3=C1C=CC=N3)O)CC4=CC=C(C=C4)F
InChI
InChI=1S/C19H15FN2O3/c1-25-18-13-3-2-8-21-16(13)17(23)15-14(18)10-22(19(15)24)9-11-4-6-12(20)7-5-11/h2-8,23H,9-10H2,1H3
InChIKey
QRXAOOQIACOJRH-UHFFFAOYSA-N
Compound name
7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

10
Patents

338.10666 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.11394 178.6
[M+Na]+ 361.09588 189.4
[M-H]- 337.09938 182.8
[M+NH4]+ 356.14048 192.9
[M+K]+ 377.06982 183.0
[M+H-H2O]+ 321.10392 168.8
[M+HCOO]- 383.10486 195.3
[M+CH3COO]- 397.12051 189.3
[M+Na-2H]- 359.08133 180.6
[M]+ 338.10611 180.2
[M]- 338.10721 180.2
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