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]+ 279.09755 160.1
[M+Na]+ 301.07949 166.4
[M-H]- 277.08299 162.3
[M+NH4]+ 296.12409 172.1
[M+K]+ 317.05343 163.8
[M+H-H2O]+ 261.08753 151.2
[M+HCOO]- 323.08847 176.8
[M+CH3COO]- 337.10412 195.5
[M+Na-2H]- 299.06494 162.2
[M]+ 278.08972 159.3
[M]- 278.09082 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.