CID 16074127

(z)-1-[4-(n-phthalimido)-2-butenyl]uracil

Structural Information

Molecular Formula
C16H13N3O4
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)C/C=C\CN3C=CC(=O)NC3=O
InChI
InChI=1S/C16H13N3O4/c20-13-7-10-18(16(23)17-13)8-3-4-9-19-14(21)11-5-1-2-6-12(11)15(19)22/h1-7,10H,8-9H2,(H,17,20,23)/b4-3-
InChIKey
SLSADKUVBMUKEV-ARJAWSKDSA-N
Compound name
2-[(Z)-4-(2,4-dioxopyrimidin-1-yl)but-2-enyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.0906 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.09788 169.9
[M+Na]+ 334.07982 180.9
[M-H]- 310.08332 173.1
[M+NH4]+ 329.12442 182.8
[M+K]+ 350.05376 174.2
[M+H-H2O]+ 294.08786 161.0
[M+HCOO]- 356.08880 188.7
[M+CH3COO]- 370.10445 201.7
[M+Na-2H]- 332.06527 172.1
[M]+ 311.09005 171.5
[M]- 311.09115 171.5
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.