CID 138505641

2305204-04-8

Structural Information

Molecular Formula
C14H11F3N4O3
SMILES
C1C(C2=C(NC1=O)N=C(NC2=O)N)C3=CC(=CC=C3)OC(F)(F)F
InChI
InChI=1S/C14H11F3N4O3/c15-14(16,17)24-7-3-1-2-6(4-7)8-5-9(22)19-11-10(8)12(23)21-13(18)20-11/h1-4,8H,5H2,(H4,18,19,20,21,22,23)
InChIKey
OFAJQDZKLHAKGN-UHFFFAOYSA-N
Compound name
2-amino-5-[3-(trifluoromethoxy)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

340.07834 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.08562 176.6
[M+Na]+ 363.06756 186.3
[M-H]- 339.07106 173.9
[M+NH4]+ 358.11216 185.2
[M+K]+ 379.04150 179.0
[M+H-H2O]+ 323.07560 165.0
[M+HCOO]- 385.07654 187.1
[M+CH3COO]- 399.09219 207.4
[M+Na-2H]- 361.05301 179.9
[M]+ 340.07779 168.9
[M]- 340.07889 168.9
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

patents stripe