CID 132275352

Dtxsid701029333

Structural Information

Molecular Formula

C₁₇H₁₅NO₆

SMILES

CO/N=C(\C1=CC=CC=C1COC2=CC=CC=C2C(=O)O)/C(=O)O

InChI

InChI=1S/C17H15NO6/c1-23-18-15(17(21)22)12-7-3-2-6-11(12)10-24-14-9-5-4-8-13(14)16(19)20/h2-9H,10H2,1H3,(H,19,20)(H,21,22)/b18-15+

InChIKey

JGRBJANJEHGMMK-OBGWFSINSA-N

Compound name

2-[[2-[(E)-C-carboxy-N-methoxycarbonimidoyl]phenyl]methoxy]benzoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 329.08994 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]+	330.097216	172.4
[M+Na]+	352.079158	177.5
[M-H]-	328.082664	177.7
[M+NH4]+	347.123763	184.4
[M+K]+	368.053098	175.8
[M+H-H2O]+	312.087200	163.9
[M+HCOO]-	374.088141	194.0
[M+CH3COO]-	388.103791	208.2
[M+Na-2H]-	350.064606	174.1
[M]+	329.08939142	175.2
[M]-	329.09048858	175.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.