CID 54692386

(7r)-8-ethyl-2-[(4-fluorophenyl)methyl]-10-hydroxy-7-methyl-3,4,6,7-tetrahydropyrido[[?]:[?]]pyrrolo[[?]]pyrazine-1,9-dione

Structural Information

Molecular Formula
C20H22FN3O3
SMILES
CCN1[C@@H](CN2C3=C(C(=C2C1=O)O)C(=O)N(CC3)CC4=CC=C(C=C4)F)C
InChI
InChI=1S/C20H22FN3O3/c1-3-23-12(2)10-24-15-8-9-22(11-13-4-6-14(21)7-5-13)19(26)16(15)18(25)17(24)20(23)27/h4-7,12,25H,3,8-11H2,1-2H3/t12-/m1/s1
InChIKey
NSIHQIURBQKVSK-GFCCVEGCSA-N
Compound name
(12R)-11-ethyl-5-[(4-fluorophenyl)methyl]-8-hydroxy-12-methyl-1,5,11-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene-6,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.16452 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.17180 192.1
[M+Na]+ 394.15374 201.5
[M-H]- 370.15724 194.2
[M+NH4]+ 389.19834 203.9
[M+K]+ 410.12768 194.5
[M+H-H2O]+ 354.16178 181.9
[M+HCOO]- 416.16272 202.8
[M+CH3COO]- 430.17837 200.5
[M+Na-2H]- 392.13919 189.0
[M]+ 371.16397 190.4
[M]- 371.16507 190.4
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

No patent data available for this compound.