CID 16072874

Chembl384158

Structural Information

Molecular Formula
C21H19FN2O3
SMILES
CC1(C2=C(C3=C(C(=C2C(=O)N1CC4=CC=C(C=C4)F)O)N=CC=C3)OC)C
InChI
InChI=1S/C21H19FN2O3/c1-21(2)16-15(18(25)17-14(19(16)27-3)5-4-10-23-17)20(26)24(21)11-12-6-8-13(22)9-7-12/h4-10,25H,11H2,1-3H3
InChIKey
LIQPCMQDIBZBQZ-UHFFFAOYSA-N
Compound name
7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6,6-dimethylpyrrolo[3,4-g]quinolin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.13797 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.14525 187.7
[M+Na]+ 389.12719 199.6
[M-H]- 365.13069 192.3
[M+NH4]+ 384.17179 203.3
[M+K]+ 405.10113 193.0
[M+H-H2O]+ 349.13523 177.9
[M+HCOO]- 411.13617 203.7
[M+CH3COO]- 425.15182 198.3
[M+Na-2H]- 387.11264 189.1
[M]+ 366.13742 190.8
[M]- 366.13852 190.8
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

No patent data available for this compound.