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

17
Patents

264.07462 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.08190 157.9
[M+Na]+ 287.06384 168.7
[M+NH4]+ 282.10844 162.4
[M+K]+ 303.03778 165.3
[M-H]- 263.06734 157.5
[M+Na-2H]- 285.04929 161.4
[M]+ 264.07407 158.8
[M]- 264.07517 158.8
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