CID 4086564

303082-95-3

Structural Information

Molecular Formula

C₁₆H₁₅N₃O₄

SMILES

COC1=C(C=CC(=C1)C=NNC(=O)N)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H15N3O4/c1-22-14-9-11(10-18-19-16(17)21)7-8-13(14)23-15(20)12-5-3-2-4-6-12/h2-10H,1H3,(H3,17,19,21)

InChIKey

HXMXIABVKYNVPJ-UHFFFAOYSA-N

Compound name

[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenyl] benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 313.10626 Da
Monoisotopic Mass: 2.0
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]+	314.113536	170.6
[M+Na]+	336.095478	175.9
[M-H]-	312.098984	178.2
[M+NH4]+	331.140083	184.1
[M+K]+	352.069418	174.0
[M+H-H2O]+	296.103520	161.2
[M+HCOO]-	358.104461	197.6
[M+CH3COO]-	372.120111	213.3
[M+Na-2H]-	334.080926	174.5
[M]+	313.10571142	171.9
[M]-	313.10680858	171.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.