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]+ 342.17000 182.8
[M+Na]+ 364.15194 186.5
[M-H]- 340.15544 190.1
[M+NH4]+ 359.19654 195.9
[M+K]+ 380.12588 185.5
[M+H-H2O]+ 324.15998 173.7
[M+HCOO]- 386.16092 204.9
[M+CH3COO]- 400.17657 216.6
[M+Na-2H]- 362.13739 183.0
[M]+ 341.16217 187.1
[M]- 341.16327 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.