CID 11726510

Chembl384912

Structural Information

Molecular Formula
C20H17FN2O4
SMILES
COC1C2=C(C3=C(C(=C2C(=O)N1CC4=CC=C(C=C4)F)O)N=CC=C3)OC
InChI
InChI=1S/C20H17FN2O4/c1-26-18-13-4-3-9-22-16(13)17(24)14-15(18)20(27-2)23(19(14)25)10-11-5-7-12(21)8-6-11/h3-9,20,24H,10H2,1-2H3
InChIKey
NBHQVSARENATMP-UHFFFAOYSA-N
Compound name
7-[(4-fluorophenyl)methyl]-9-hydroxy-5,6-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

368.11725 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.12453 186.4
[M+Na]+ 391.10647 197.4
[M-H]- 367.10997 190.8
[M+NH4]+ 386.15107 199.7
[M+K]+ 407.08041 191.5
[M+H-H2O]+ 351.11451 176.5
[M+HCOO]- 413.11545 202.9
[M+CH3COO]- 427.13110 196.8
[M+Na-2H]- 389.09192 187.4
[M]+ 368.11670 190.2
[M]- 368.11780 190.2
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