CID 58479

101516-96-5

Structural Information

Molecular Formula

C₁₅H₁₄N₂O₄

SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)OCCC3=CC=CC=N3

InChI

InChI=1S/C15H14N2O4/c18-15(19-8-6-11-3-1-2-7-16-11)17-12-4-5-13-14(9-12)21-10-20-13/h1-5,7,9H,6,8,10H2,(H,17,18)

InChIKey

OIVSQFSWQKKYCO-UHFFFAOYSA-N

Compound name

2-pyridin-2-ylethyl N-(1,3-benzodioxol-5-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 286.09537 Da
Monoisotopic Mass: 2.2
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]+	287.102646	162.6
[M+Na]+	309.084588	169.1
[M-H]-	285.088094	170.0
[M+NH4]+	304.129193	176.2
[M+K]+	325.058528	168.6
[M+H-H2O]+	269.092630	154.4
[M+HCOO]-	331.093571	183.7
[M+CH3COO]-	345.109221	199.0
[M+Na-2H]-	307.070036	169.6
[M]+	286.09482142	165.8
[M]-	286.09591858	165.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.