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 196.3
[M+Na]+ 420.17815 199.8
[M-H]- 396.18165 202.4
[M+NH4]+ 415.22275 206.6
[M+K]+ 436.15209 198.4
[M+H-H2O]+ 380.18619 187.4
[M+HCOO]- 442.18713 215.2
[M+CH3COO]- 456.20278 227.9
[M+Na-2H]- 418.16360 192.2
[M]+ 397.18838 200.7
[M]- 397.18948 200.7
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.