CID 27719

16156-66-4

Structural Information

Molecular Formula
C20H23NO4
SMILES
CCC(C)C1=CC(=CC=C1)OC(=O)N(C)C(=O)COC2=CC=CC=C2
InChI
InChI=1S/C20H23NO4/c1-4-15(2)16-9-8-12-18(13-16)25-20(23)21(3)19(22)14-24-17-10-6-5-7-11-17/h5-13,15H,4,14H2,1-3H3
InChIKey
KJXDJOLKOLXZFF-UHFFFAOYSA-N
Compound name
(3-butan-2-ylphenyl) N-methyl-N-(2-phenoxyacetyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.16272 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.169996 182.8
[M+Na]+ 364.151938 186.5
[M-H]- 340.155444 190.1
[M+NH4]+ 359.196543 195.9
[M+K]+ 380.125878 185.5
[M+H-H2O]+ 324.159980 173.7
[M+HCOO]- 386.160921 204.9
[M+CH3COO]- 400.176571 216.6
[M+Na-2H]- 362.137386 183.0
[M]+ 341.16217142 187.1
[M]- 341.16326858 187.1
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.