CID 156176424

2633725-74-1

Structural Information

Molecular Formula
C12H12N2O5
SMILES
COC1=C(C=CC(=C1)C(=O)O)N2CCC(=O)NC2=O
InChI
InChI=1S/C12H12N2O5/c1-19-9-6-7(11(16)17)2-3-8(9)14-5-4-10(15)13-12(14)18/h2-3,6H,4-5H2,1H3,(H,16,17)(H,13,15,18)
InChIKey
FNGQUEJTNWYQEF-UHFFFAOYSA-N
Compound name
4-(2,4-dioxo-1,3-diazinan-1-yl)-3-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

264.07462 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.081896 156.3
[M+Na]+ 287.063838 163.6
[M-H]- 263.067344 157.8
[M+NH4]+ 282.108443 168.6
[M+K]+ 303.037778 160.5
[M+H-H2O]+ 247.071880 148.3
[M+HCOO]- 309.072821 171.9
[M+CH3COO]- 323.088471 191.6
[M+Na-2H]- 285.049286 157.8
[M]+ 264.07407142 153.8
[M]- 264.07516858 153.8
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

patents stripe