CID 2179734

69457-35-8

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₄

SMILES

COC1=CC=C(C=C1)N2C(=O)CC(=O)NC2=O

InChI

InChI=1S/C11H10N2O4/c1-17-8-4-2-7(3-5-8)13-10(15)6-9(14)12-11(13)16/h2-5H,6H2,1H3,(H,12,14,16)

InChIKey

QQZJAOVFTGBDSP-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 26
Patents: 234.06406 Da
Monoisotopic Mass: 0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	235.07134	150.7
[M+Na]+	257.05328	163.1
[M+NH4]+	252.09788	156.5
[M+K]+	273.02722	158.2
[M-H]-	233.05678	151.5
[M+Na-2H]-	255.03873	155.8
[M]+	234.06351	152.3
[M]-	234.06461	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe