CID 3054687

Ethanone, 1-(3,4-bis(acetyloxy)phenyl)-2-(dimethylamino)-, hydrochloride

Structural Information

Molecular Formula
C14H17NO5
SMILES
CC(=O)OC1=C(C=C(C=C1)C(=O)CN(C)C)OC(=O)C
InChI
InChI=1S/C14H17NO5/c1-9(16)19-13-6-5-11(12(18)8-15(3)4)7-14(13)20-10(2)17/h5-7H,8H2,1-4H3
InChIKey
ZFUAFPPYMYUYCN-UHFFFAOYSA-N
Compound name
[2-acetyloxy-4-[2-(dimethylamino)acetyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1107 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.117976 160.9
[M+Na]+ 302.099918 167.2
[M-H]- 278.103424 166.0
[M+NH4]+ 297.144523 177.2
[M+K]+ 318.073858 168.1
[M+H-H2O]+ 262.107960 153.9
[M+HCOO]- 324.108901 184.1
[M+CH3COO]- 338.124551 206.2
[M+Na-2H]- 300.085366 161.3
[M]+ 279.11015142 167.0
[M]- 279.11124858 167.0
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.