CID 139596044

Dtxsid001028253

Structural Information

Molecular Formula

C₁₅H₁₄N₂O₅

SMILES

COC(=O)NC1=CC(=CC=C1)OC(=O)NC2=CC(=CC=C2)O

InChI

InChI=1S/C15H14N2O5/c1-21-14(19)16-11-5-3-7-13(9-11)22-15(20)17-10-4-2-6-12(18)8-10/h2-9,18H,1H3,(H,16,19)(H,17,20)

InChIKey

MHLYAOFODJGTGJ-UHFFFAOYSA-N

Compound name

[3-(methoxycarbonylamino)phenyl] N-(3-hydroxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 302.09027 Da
Monoisotopic Mass: 2.9
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]+	303.097546	166.2
[M+Na]+	325.079488	171.7
[M-H]-	301.082994	171.9
[M+NH4]+	320.124093	179.5
[M+K]+	341.053428	169.8
[M+H-H2O]+	285.087530	157.8
[M+HCOO]-	347.088471	190.2
[M+CH3COO]-	361.104121	203.2
[M+Na-2H]-	323.064936	170.4
[M]+	302.08972142	167.3
[M]-	302.09081858	167.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.