CID 54683473

Schembl4317868

Structural Information

Molecular Formula
C17H15F2N3O4
SMILES
CNC(=O)C1=CN2CCN(C(=O)C2=C(C1=O)O)CC3=CC(=C(C=C3)F)F
InChI
InChI=1S/C17H15F2N3O4/c1-20-16(25)10-8-21-4-5-22(17(26)13(21)15(24)14(10)23)7-9-2-3-11(18)12(19)6-9/h2-3,6,8,24H,4-5,7H2,1H3,(H,20,25)
InChIKey
XQAXIAUAUQCQSR-UHFFFAOYSA-N
Compound name
2-[(3,4-difluorophenyl)methyl]-9-hydroxy-N-methyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

363.10306 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.11034 182.0
[M+Na]+ 386.09228 191.8
[M-H]- 362.09578 183.8
[M+NH4]+ 381.13688 192.2
[M+K]+ 402.06622 186.2
[M+H-H2O]+ 346.10032 171.0
[M+HCOO]- 408.10126 196.9
[M+CH3COO]- 422.11691 218.2
[M+Na-2H]- 384.07773 182.4
[M]+ 363.10251 180.1
[M]- 363.10361 180.1
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