CID 139598239

In-kc576

Structural Information

Molecular Formula
C14H9F3N4O4
SMILES
COC1=CC(=O)NC(=N1)C2C3=CN=C(C=C3C(=O)NC2=O)C(F)(F)F
InChI
InChI=1S/C14H9F3N4O4/c1-25-9-3-8(22)19-11(20-9)10-6-4-18-7(14(15,16)17)2-5(6)12(23)21-13(10)24/h2-4,10H,1H3,(H,19,20,22)(H,21,23,24)
InChIKey
ZPVBQXCPWNQRHH-UHFFFAOYSA-N
Compound name
4-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)-4H-2,6-naphthyridine-1,3-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

354.0576 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.064876 181.2
[M+Na]+ 377.046818 192.6
[M-H]- 353.050324 178.0
[M+NH4]+ 372.091423 188.4
[M+K]+ 393.020758 185.4
[M+H-H2O]+ 337.054860 169.2
[M+HCOO]- 399.055801 190.1
[M+CH3COO]- 413.071451 208.4
[M+Na-2H]- 375.032266 184.1
[M]+ 354.05705142 176.7
[M]- 354.05814858 176.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.