CID 202745

2-dimethylaminoethyl 9-xanthenylacetate hydrochloride

Structural Information

Molecular Formula
C19H21NO3
SMILES
CN(C)CCOC(=O)CC1C2=CC=CC=C2OC3=CC=CC=C13
InChI
InChI=1S/C19H21NO3/c1-20(2)11-12-22-19(21)13-16-14-7-3-5-9-17(14)23-18-10-6-4-8-15(16)18/h3-10,16H,11-13H2,1-2H3
InChIKey
JLZSFEBJYNZDDA-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-(9H-xanthen-9-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.15213 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15941 172.9
[M+Na]+ 334.14135 186.2
[M+NH4]+ 329.18595 181.6
[M+K]+ 350.11529 178.7
[M-H]- 310.14485 178.3
[M+Na-2H]- 332.12680 178.4
[M]+ 311.15158 176.4
[M]- 311.15268 176.4
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.