CID 199753

4867-79-2

Structural Information

Molecular Formula
C16H18N2O5
SMILES
COC1=CC(=CC(=C1OC)OC)COC(=O)NC2=CC=NC=C2
InChI
InChI=1S/C16H18N2O5/c1-20-13-8-11(9-14(21-2)15(13)22-3)10-23-16(19)18-12-4-6-17-7-5-12/h4-9H,10H2,1-3H3,(H,17,18,19)
InChIKey
CJIOXDIWMQEHER-UHFFFAOYSA-N
Compound name
(3,4,5-trimethoxyphenyl)methyl N-pyridin-4-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.12158 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.12886 173.0
[M+Na]+ 341.11080 185.4
[M+NH4]+ 336.15540 178.6
[M+K]+ 357.08474 179.9
[M-H]- 317.11430 175.6
[M+Na-2H]- 339.09625 179.9
[M]+ 318.12103 175.3
[M]- 318.12213 175.3
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.