CID 54683423

Schembl14129855

Structural Information

Molecular Formula
C21H25FN2O4
SMILES
CC(C)(C)C(CC1=CC(=O)C(=C2N1CCN(C2=O)CC3=CC=C(C=C3)F)O)O
InChI
InChI=1S/C21H25FN2O4/c1-21(2,3)17(26)11-15-10-16(25)19(27)18-20(28)23(8-9-24(15)18)12-13-4-6-14(22)7-5-13/h4-7,10,17,26-27H,8-9,11-12H2,1-3H3
InChIKey
LRLWWHYHBZTIGN-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(2-hydroxy-3,3-dimethylbutyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

388.17984 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.18712 194.5
[M+Na]+ 411.16906 202.1
[M-H]- 387.17256 195.6
[M+NH4]+ 406.21366 203.3
[M+K]+ 427.14300 196.6
[M+H-H2O]+ 371.17710 184.9
[M+HCOO]- 433.17804 204.8
[M+CH3COO]- 447.19369 219.6
[M+Na-2H]- 409.15451 194.3
[M]+ 388.17929 193.7
[M]- 388.18039 193.7
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