CID 49072

67049-54-1

Structural Information

Molecular Formula
C18H19NO4
SMILES
CN(C)CC(C1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H19NO4/c1-19(2)11-17(23-18(20)13-6-4-3-5-7-13)14-8-9-15-16(10-14)22-12-21-15/h3-10,17H,11-12H2,1-2H3
InChIKey
CJKXQXAXUJARNR-UHFFFAOYSA-N
Compound name
[1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1314 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13868 172.3
[M+Na]+ 336.12062 183.9
[M+NH4]+ 331.16522 179.8
[M+K]+ 352.09456 180.6
[M-H]- 312.12412 178.8
[M+Na-2H]- 334.10607 177.6
[M]+ 313.13085 175.7
[M]- 313.13195 175.7
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.