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

3
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 158.2
[M+Na]+ 281.08965 171.4
[M+NH4]+ 276.13425 165.4
[M+K]+ 297.06359 164.7
[M-H]- 257.09315 161.8
[M+Na-2H]- 279.07510 167.1
[M]+ 258.09988 161.0
[M]- 258.10098 161.0
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

patents stripe