CID 2799237

Maybridge1_001542

Structural Information

Molecular Formula
C16H23NO5
SMILES
CC(=O)C(C)(C)OC(=O)NCCC1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C16H23NO5/c1-11(18)16(2,3)22-15(19)17-9-8-12-6-7-13(20-4)14(10-12)21-5/h6-7,10H,8-9H2,1-5H3,(H,17,19)
InChIKey
WUXXCUSQOZXEIE-UHFFFAOYSA-N
Compound name
(2-methyl-3-oxobutan-2-yl) N-[2-(3,4-dimethoxyphenyl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

309.15762 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.164896 171.9
[M+Na]+ 332.146838 177.5
[M-H]- 308.150344 175.4
[M+NH4]+ 327.191443 186.6
[M+K]+ 348.120778 177.1
[M+H-H2O]+ 292.154880 165.1
[M+HCOO]- 354.155821 193.1
[M+CH3COO]- 368.171471 209.0
[M+Na-2H]- 330.132286 174.1
[M]+ 309.15707142 178.3
[M]- 309.15816858 178.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.