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]+ 369.08052 186.0
[M+Na]+ 391.06246 197.0
[M-H]- 367.06596 183.9
[M+NH4]+ 386.10706 193.3
[M+K]+ 407.03640 191.0
[M+H-H2O]+ 351.07050 173.3
[M+HCOO]- 413.07144 195.8
[M+CH3COO]- 427.08709 214.1
[M+Na-2H]- 389.04791 188.8
[M]+ 368.07269 184.1
[M]- 368.07379 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.