CID 19780

Brn 2628548

Structural Information

Molecular Formula
C17H23NO5
SMILES
CC1=C(C(=C(C=C1)C(C)C)OC(=O)C)C(=O)NCCOC(=O)C
InChI
InChI=1S/C17H23NO5/c1-10(2)14-7-6-11(3)15(16(14)23-13(5)20)17(21)18-8-9-22-12(4)19/h6-7,10H,8-9H2,1-5H3,(H,18,21)
InChIKey
ZEPJNLWGHDFZAU-UHFFFAOYSA-N
Compound name
2-[(2-acetyloxy-6-methyl-3-propan-2-ylbenzoyl)amino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.15762 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.16490 174.9
[M+Na]+ 344.14684 180.4
[M-H]- 320.15034 178.4
[M+NH4]+ 339.19144 189.1
[M+K]+ 360.12078 179.9
[M+H-H2O]+ 304.15488 167.9
[M+HCOO]- 366.15582 195.5
[M+CH3COO]- 380.17147 213.3
[M+Na-2H]- 342.13229 172.5
[M]+ 321.15707 180.5
[M]- 321.15817 180.5
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.