CID 65720

25683-71-0

Structural Information

Molecular Formula

C₁₄H₁₄N₄O₄

SMILES

C1C(C(=O)NO1)N=CC2=CC=C(C=C2)C=NC3CONC3=O

InChI

InChI=1S/C14H14N4O4/c19-13-11(7-21-17-13)15-5-9-1-2-10(4-3-9)6-16-12-8-22-18-14(12)20/h1-6,11-12H,7-8H2,(H,17,19)(H,18,20)

InChIKey

ODKYYBOHSVLGNU-UHFFFAOYSA-N

Compound name

4-[[4-[(3-oxo-1,2-oxazolidin-4-yl)iminomethyl]phenyl]methylideneamino]-1,2-oxazolidin-3-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 26
References: 1131
Patents: 302.1015 Da
Monoisotopic Mass: -0.2
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]+	303.108776	167.4
[M+Na]+	325.090718	172.8
[M-H]-	301.094224	175.7
[M+NH4]+	320.135323	179.2
[M+K]+	341.064658	170.9
[M+H-H2O]+	285.098760	158.8
[M+HCOO]-	347.099701	188.0
[M+CH3COO]-	361.115351	203.0
[M+Na-2H]-	323.076166	168.9
[M]+	302.10095142	164.6
[M]-	302.10204858	164.6

Literature stripe

literature stripe

Patent stripe

patents stripe