CID 202743

2-diethylaminoethyl 9-xanthenylacetate hydrochloride

Structural Information

Molecular Formula
C21H25NO3
SMILES
CCN(CC)CCOC(=O)CC1C2=CC=CC=C2OC3=CC=CC=C13
InChI
InChI=1S/C21H25NO3/c1-3-22(4-2)13-14-24-21(23)15-18-16-9-5-7-11-19(16)25-20-12-8-6-10-17(18)20/h5-12,18H,3-4,13-15H2,1-2H3
InChIKey
CIFFXOPBSASRSI-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-(9H-xanthen-9-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.18344 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.19072 182.9
[M+Na]+ 362.17266 187.7
[M-H]- 338.17616 189.0
[M+NH4]+ 357.21726 197.2
[M+K]+ 378.14660 185.7
[M+H-H2O]+ 322.18070 174.0
[M+HCOO]- 384.18164 201.8
[M+CH3COO]- 398.19729 218.9
[M+Na-2H]- 360.15811 187.6
[M]+ 339.18289 187.5
[M]- 339.18399 187.5
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.