CID 2268695

303061-60-1

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₅

SMILES

COC1=CC=C(C=C1)C(NC(=O)OC)NC(=O)OC

InChI

InChI=1S/C12H16N2O5/c1-17-9-6-4-8(5-7-9)10(13-11(15)18-2)14-12(16)19-3/h4-7,10H,1-3H3,(H,13,15)(H,14,16)

InChIKey

PUSNRXFKTHMFJN-UHFFFAOYSA-N

Compound name

methyl N-[(methoxycarbonylamino)-(4-methoxyphenyl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 268.10593 Da
Monoisotopic Mass: 1.3
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]+	269.113206	159.3
[M+Na]+	291.095148	164.2
[M-H]-	267.098654	162.8
[M+NH4]+	286.139753	174.9
[M+K]+	307.069088	164.8
[M+H-H2O]+	251.103190	151.8
[M+HCOO]-	313.104131	183.4
[M+CH3COO]-	327.119781	200.2
[M+Na-2H]-	289.080596	162.2
[M]+	268.10538142	162.7
[M]-	268.10647858	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.