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]+ 340.190716 182.9
[M+Na]+ 362.172658 187.7
[M-H]- 338.176164 189.0
[M+NH4]+ 357.217263 197.2
[M+K]+ 378.146598 185.7
[M+H-H2O]+ 322.180700 174.0
[M+HCOO]- 384.181641 201.8
[M+CH3COO]- 398.197291 218.9
[M+Na-2H]- 360.158106 187.6
[M]+ 339.18289142 187.5
[M]- 339.18398858 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.