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]+ 280.11798 160.9
[M+Na]+ 302.09992 167.2
[M-H]- 278.10342 166.0
[M+NH4]+ 297.14452 177.2
[M+K]+ 318.07386 168.1
[M+H-H2O]+ 262.10796 153.9
[M+HCOO]- 324.10890 184.1
[M+CH3COO]- 338.12455 206.2
[M+Na-2H]- 300.08537 161.3
[M]+ 279.11015 167.0
[M]- 279.11125 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.