CID 54698267

Schembl2208530

Structural Information

Molecular Formula
C24H25FN6O4
SMILES
CN1CCN2C(=NC(=C(C2=O)O)C(=O)NCC3=CC=C(C=C3)F)C1CN(C)C(=O)C4=CC=CC=N4
InChI
InChI=1S/C24H25FN6O4/c1-29-11-12-31-21(18(29)14-30(2)23(34)17-5-3-4-10-26-17)28-19(20(32)24(31)35)22(33)27-13-15-6-8-16(25)9-7-15/h3-10,18,32H,11-14H2,1-2H3,(H,27,33)
InChIKey
SRMCOKWIRYAOPR-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-3-hydroxy-8-methyl-9-[[methyl(pyridine-2-carbonyl)amino]methyl]-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

480.19214 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.19942 215.2
[M+Na]+ 503.18136 220.7
[M-H]- 479.18486 219.2
[M+NH4]+ 498.22596 216.9
[M+K]+ 519.15530 215.1
[M+H-H2O]+ 463.18940 201.2
[M+HCOO]- 525.19034 227.7
[M+CH3COO]- 539.20599 245.1
[M+Na-2H]- 501.16681 215.6
[M]+ 480.19159 214.5
[M]- 480.19269 214.5
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.