CID 19779

Brn 2824359

Structural Information

Molecular Formula
C23H27NO5
SMILES
CC1=C(C(=C(C=C1)C(C)C)OC(=O)C)C(=O)NCC(C2=CC=CC=C2)OC(=O)C
InChI
InChI=1S/C23H27NO5/c1-14(2)19-12-11-15(3)21(22(19)29-17(5)26)23(27)24-13-20(28-16(4)25)18-9-7-6-8-10-18/h6-12,14,20H,13H2,1-5H3,(H,24,27)
InChIKey
CPURHDZRLPBFRL-UHFFFAOYSA-N
Compound name
[2-[(2-acetyloxy-2-phenylethyl)carbamoyl]-3-methyl-6-propan-2-ylphenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.18893 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.19621 195.3
[M+Na]+ 420.17815 205.2
[M+NH4]+ 415.22275 199.6
[M+K]+ 436.15209 201.0
[M-H]- 396.18165 197.2
[M+Na-2H]- 418.16360 199.5
[M]+ 397.18838 196.9
[M]- 397.18948 196.9
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.