CID 135410956

Chembl213852

Structural Information

Molecular Formula
C20H15FN2O3
SMILES
COC1=C2C(=C)N(C(=C2C(=O)C3=C1C=CC=N3)O)CC4=CC=C(C=C4)F
InChI
InChI=1S/C20H15FN2O3/c1-11-15-16(18(24)17-14(19(15)26-2)4-3-9-22-17)20(25)23(11)10-12-5-7-13(21)8-6-12/h3-9,25H,1,10H2,2H3
InChIKey
RFLMXWWMNXTBDG-UHFFFAOYSA-N
Compound name
7-[(4-fluorophenyl)methyl]-8-hydroxy-5-methoxy-6-methylidenepyrrolo[3,4-g]quinolin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

350.10666 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.11394 182.2
[M+Na]+ 373.09588 194.7
[M-H]- 349.09938 187.1
[M+NH4]+ 368.14048 196.4
[M+K]+ 389.06982 187.3
[M+H-H2O]+ 333.10392 172.5
[M+HCOO]- 395.10486 200.1
[M+CH3COO]- 409.12051 193.3
[M+Na-2H]- 371.08133 183.9
[M]+ 350.10611 185.3
[M]- 350.10721 185.3
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