CID 199752

P-methoxybenzyl 4-pyridinecarbamate

Structural Information

Molecular Formula
C14H14N2O3
SMILES
COC1=CC=C(C=C1)COC(=O)NC2=CC=NC=C2
InChI
InChI=1S/C14H14N2O3/c1-18-13-4-2-11(3-5-13)10-19-14(17)16-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,15,16,17)
InChIKey
WYSLOIGWNJRZDA-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)methyl N-pyridin-4-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.10043 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10771 157.2
[M+Na]+ 281.08965 163.7
[M-H]- 257.09315 162.5
[M+NH4]+ 276.13425 171.9
[M+K]+ 297.06359 161.2
[M+H-H2O]+ 241.09769 148.2
[M+HCOO]- 303.09863 181.1
[M+CH3COO]- 317.11428 195.5
[M+Na-2H]- 279.07510 163.8
[M]+ 258.09988 159.1
[M]- 258.10098 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.