CID 21128

Brn 1504333

Structural Information

Molecular Formula
C16H18N2O5
SMILES
COC1=CC(=CC(=C1OC)OC)NC(=O)OCC2=CC=NC=C2
InChI
InChI=1S/C16H18N2O5/c1-20-13-8-12(9-14(21-2)15(13)22-3)18-16(19)23-10-11-4-6-17-7-5-11/h4-9H,10H2,1-3H3,(H,18,19)
InChIKey
GFRLEAUMKZTOGL-UHFFFAOYSA-N
Compound name
pyridin-4-ylmethyl N-(3,4,5-trimethoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 171.8
[M+Na]+ 341.11080 178.9
[M-H]- 317.11430 177.5
[M+NH4]+ 336.15540 184.5
[M+K]+ 357.08474 177.4
[M+H-H2O]+ 301.11884 162.3
[M+HCOO]- 363.11978 195.4
[M+CH3COO]- 377.13543 208.3
[M+Na-2H]- 339.09625 176.1
[M]+ 318.12103 178.1
[M]- 318.12213 178.1
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

patents stripe