CID 54683353

Schembl14129959

Structural Information

Molecular Formula
C22H20FN3O3
SMILES
CC1(CN(C(=O)C2=C(C(=O)C(=CN21)C3=CC=CC=N3)O)CC4=CC=C(C=C4)F)C
InChI
InChI=1S/C22H20FN3O3/c1-22(2)13-25(11-14-6-8-15(23)9-7-14)21(29)18-20(28)19(27)16(12-26(18)22)17-5-3-4-10-24-17/h3-10,12,28H,11,13H2,1-2H3
InChIKey
OLTJRRCUVFJXFF-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]-9-hydroxy-4,4-dimethyl-7-pyridin-2-yl-3H-pyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

393.14886 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.15614 197.1
[M+Na]+ 416.13808 207.9
[M-H]- 392.14158 201.9
[M+NH4]+ 411.18268 206.5
[M+K]+ 432.11202 200.4
[M+H-H2O]+ 376.14612 184.2
[M+HCOO]- 438.14706 210.7
[M+CH3COO]- 452.16271 205.8
[M+Na-2H]- 414.12353 199.0
[M]+ 393.14831 196.5
[M]- 393.14941 196.5
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.