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 173.3
[M+Na]+ 334.14135 179.0
[M-H]- 310.14485 179.8
[M+NH4]+ 329.18595 188.8
[M+K]+ 350.11529 177.5
[M+H-H2O]+ 294.14939 164.8
[M+HCOO]- 356.15033 192.9
[M+CH3COO]- 370.16598 213.0
[M+Na-2H]- 332.12680 179.2
[M]+ 311.15158 177.3
[M]- 311.15268 177.3
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.