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]+ 355.06488 181.2
[M+Na]+ 377.04682 192.6
[M-H]- 353.05032 178.0
[M+NH4]+ 372.09142 188.4
[M+K]+ 393.02076 185.4
[M+H-H2O]+ 337.05486 169.2
[M+HCOO]- 399.05580 190.1
[M+CH3COO]- 413.07145 208.4
[M+Na-2H]- 375.03227 184.1
[M]+ 354.05705 176.7
[M]- 354.05815 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.