CID 54692342

Schembl14034064

Structural Information

Molecular Formula
C18H16FN3O3
SMILES
CN1C=CC2=C(C1=O)C(=C3N2CCN(C3=O)CC4=CC=C(C=C4)F)O
InChI
InChI=1S/C18H16FN3O3/c1-20-7-6-13-14(17(20)24)16(23)15-18(25)21(8-9-22(13)15)10-11-2-4-12(19)5-3-11/h2-7,23H,8-10H2,1H3
InChIKey
LLVFHHOVONUINH-UHFFFAOYSA-N
Compound name
11-[(4-fluorophenyl)methyl]-8-hydroxy-5-methyl-1,5,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-6,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

341.11758 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.12486 179.8
[M+Na]+ 364.10680 192.3
[M-H]- 340.11030 183.3
[M+NH4]+ 359.15140 193.0
[M+K]+ 380.08074 185.1
[M+H-H2O]+ 324.11484 169.7
[M+HCOO]- 386.11578 195.6
[M+CH3COO]- 400.13143 190.4
[M+Na-2H]- 362.09225 181.4
[M]+ 341.11703 181.4
[M]- 341.11813 181.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe