CID 139534142

2377643-33-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
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 156.3
[M+Na]+ 287.06384 163.6
[M-H]- 263.06734 157.8
[M+NH4]+ 282.10844 168.6
[M+K]+ 303.03778 160.5
[M+H-H2O]+ 247.07188 148.3
[M+HCOO]- 309.07282 171.9
[M+CH3COO]- 323.08847 191.6
[M+Na-2H]- 285.04929 157.8
[M]+ 264.07407 153.8
[M]- 264.07517 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