CID 139594541

In-jv460

Structural Information

Molecular Formula
C15H11F3N4O4
SMILES
COC1=CC(=NC(=N1)C2C3=CN=C(C=C3C(=O)NC2=O)C(F)(F)F)OC
InChI
InChI=1S/C15H11F3N4O4/c1-25-9-4-10(26-2)21-12(20-9)11-7-5-19-8(15(16,17)18)3-6(7)13(23)22-14(11)24/h3-5,11H,1-2H3,(H,22,23,24)
InChIKey
CISPFZXUZPXYNQ-UHFFFAOYSA-N
Compound name
4-(4,6-dimethoxypyrimidin-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

368.07324 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.080516 186.0
[M+Na]+ 391.062458 197.0
[M-H]- 367.065964 183.9
[M+NH4]+ 386.107063 193.3
[M+K]+ 407.036398 191.0
[M+H-H2O]+ 351.070500 173.3
[M+HCOO]- 413.071441 195.8
[M+CH3COO]- 427.087091 214.1
[M+Na-2H]- 389.047906 188.8
[M]+ 368.07269142 184.1
[M]- 368.07378858 184.1
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.