CID 207434

Brn 0822412

Structural Information

Molecular Formula
C13H14N2O5
SMILES
C1CN(C(=O)N(C1=O)CC(=O)O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H14N2O5/c16-11-6-7-15(13(19)14(11)8-12(17)18)20-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,17,18)
InChIKey
QBHRZKCERGRSOY-UHFFFAOYSA-N
Compound name
2-(2,6-dioxo-3-phenylmethoxy-1,3-diazinan-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.09027 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.097546 160.1
[M+Na]+ 301.079488 166.4
[M-H]- 277.082994 162.3
[M+NH4]+ 296.124093 172.1
[M+K]+ 317.053428 163.8
[M+H-H2O]+ 261.087530 151.2
[M+HCOO]- 323.088471 176.8
[M+CH3COO]- 337.104121 195.5
[M+Na-2H]- 299.064936 162.2
[M]+ 278.08972142 159.3
[M]- 278.09081858 159.3
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.