CID 3040506

(rs)-1-(3,4-diacetoxyphenyl)-2-(dimethylamino)propane hydrochloride

Structural Information

Molecular Formula
C15H21NO4
SMILES
CC(CC1=CC(=C(C=C1)OC(=O)C)OC(=O)C)N(C)C
InChI
InChI=1S/C15H21NO4/c1-10(16(4)5)8-13-6-7-14(19-11(2)17)15(9-13)20-12(3)18/h6-7,9-10H,8H2,1-5H3
InChIKey
GZKHURKECDPJJN-UHFFFAOYSA-N
Compound name
[2-acetyloxy-4-[2-(dimethylamino)propyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.14706 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15434 164.6
[M+Na]+ 302.13628 170.3
[M-H]- 278.13978 169.6
[M+NH4]+ 297.18088 181.1
[M+K]+ 318.11022 171.0
[M+H-H2O]+ 262.14432 157.6
[M+HCOO]- 324.14526 187.0
[M+CH3COO]- 338.16091 207.8
[M+Na-2H]- 300.12173 164.3
[M]+ 279.14651 170.3
[M]- 279.14761 170.3
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.