CID 21084

4982-76-7

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₃

SMILES

COC1=CC=C(C=C1)NC(=O)OCC2=CC=NC=C2

InChI

InChI=1S/C14H14N2O3/c1-18-13-4-2-12(3-5-13)16-14(17)19-10-11-6-8-15-9-7-11/h2-9H,10H2,1H3,(H,16,17)

InChIKey

QQOMVMHBXKYZFL-UHFFFAOYSA-N

Compound name

pyridin-4-ylmethyl N-(4-methoxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 258.10043 Da
Monoisotopic Mass: 1.9
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]+	259.107706	157.2
[M+Na]+	281.089648	163.7
[M-H]-	257.093154	162.5
[M+NH4]+	276.134253	171.9
[M+K]+	297.063588	161.2
[M+H-H2O]+	241.097690	148.2
[M+HCOO]-	303.098631	181.1
[M+CH3COO]-	317.114281	195.5
[M+Na-2H]-	279.075096	163.8
[M]+	258.09988142	159.1
[M]-	258.10097858	159.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe