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]+ 398.196206 196.3
[M+Na]+ 420.178148 199.8
[M-H]- 396.181654 202.4
[M+NH4]+ 415.222753 206.6
[M+K]+ 436.152088 198.4
[M+H-H2O]+ 380.186190 187.4
[M+HCOO]- 442.187131 215.2
[M+CH3COO]- 456.202781 227.9
[M+Na-2H]- 418.163596 192.2
[M]+ 397.18838142 200.7
[M]- 397.18947858 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

literature stripe

Patent stripe

No patent data available for this compound.