CID 16074135

(e)-1-[4-(n-phthalimido)-2-butenyl]-5-(trifluoromethyl)uracil

Structural Information

Molecular Formula
C17H12F3N3O4
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)C/C=C/CN3C=C(C(=O)NC3=O)C(F)(F)F
InChI
InChI=1S/C17H12F3N3O4/c18-17(19,20)12-9-22(16(27)21-13(12)24)7-3-4-8-23-14(25)10-5-1-2-6-11(10)15(23)26/h1-6,9H,7-8H2,(H,21,24,27)/b4-3+
InChIKey
FYLMDPXXYHHQPC-ONEGZZNKSA-N
Compound name
2-[(E)-4-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]but-2-enyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

379.078 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.08528 184.8
[M+Na]+ 402.06722 196.7
[M-H]- 378.07072 184.5
[M+NH4]+ 397.11182 195.1
[M+K]+ 418.04116 189.0
[M+H-H2O]+ 362.07526 173.8
[M+HCOO]- 424.07620 198.3
[M+CH3COO]- 438.09185 213.7
[M+Na-2H]- 400.05267 185.1
[M]+ 379.07745 183.3
[M]- 379.07855 183.3
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.