CID 54692277

Schembl2895965

Structural Information

Molecular Formula
C23H27FN4O5
SMILES
CN(C)C(=O)CC1CN2C(=C(C(=O)N(C2=O)C3CCCC3)O)C(=O)N1CC4=CC=C(C=C4)F
InChI
InChI=1S/C23H27FN4O5/c1-25(2)18(29)11-17-13-27-19(21(31)26(17)12-14-7-9-15(24)10-8-14)20(30)22(32)28(23(27)33)16-5-3-4-6-16/h7-10,16-17,30H,3-6,11-13H2,1-2H3
InChIKey
CNWOICHXCKCFNY-UHFFFAOYSA-N
Compound name
2-[7-cyclopentyl-2-[(4-fluorophenyl)methyl]-9-hydroxy-1,6,8-trioxo-3,4-dihydropyrazino[1,2-c]pyrimidin-3-yl]-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

458.19653 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.20381 208.5
[M+Na]+ 481.18575 215.2
[M-H]- 457.18925 214.1
[M+NH4]+ 476.23035 215.2
[M+K]+ 497.15969 210.3
[M+H-H2O]+ 441.19379 197.0
[M+HCOO]- 503.19473 221.0
[M+CH3COO]- 517.21038 238.8
[M+Na-2H]- 479.17120 203.1
[M]+ 458.19598 207.9
[M]- 458.19708 207.9
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.