CID 392555

Nsc693099

Structural Information

Molecular Formula
C16H15N3O5
SMILES
CC1=CN(C(=O)NC1=O)COCCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C16H15N3O5/c1-10-8-18(16(23)17-13(10)20)9-24-7-6-19-14(21)11-4-2-3-5-12(11)15(19)22/h2-5,8H,6-7,9H2,1H3,(H,17,20,23)
InChIKey
VXKUMTDUKOBIEY-UHFFFAOYSA-N
Compound name
2-[2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.10117 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.10845 173.2
[M+Na]+ 352.09039 184.4
[M-H]- 328.09389 176.8
[M+NH4]+ 347.13499 185.5
[M+K]+ 368.06433 179.1
[M+H-H2O]+ 312.09843 164.3
[M+HCOO]- 374.09937 191.9
[M+CH3COO]- 388.11502 206.7
[M+Na-2H]- 350.07584 174.9
[M]+ 329.10062 177.4
[M]- 329.10172 177.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.