CID 214170

27819-47-2

Structural Information

Molecular Formula
C20H23NO3
SMILES
CCN(CC)CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13
InChI
InChI=1S/C20H23NO3/c1-3-21(4-2)13-14-23-20(22)19-15-9-5-7-11-17(15)24-18-12-8-6-10-16(18)19/h5-12,19H,3-4,13-14H2,1-2H3
InChIKey
HIGMQFBAGGGECD-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 9H-xanthene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

4
Patents

325.1678 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17508 177.5
[M+Na]+ 348.15702 190.6
[M+NH4]+ 343.20162 186.0
[M+K]+ 364.13096 182.8
[M-H]- 324.16052 182.8
[M+Na-2H]- 346.14247 182.7
[M]+ 325.16725 180.9
[M]- 325.16835 180.9
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

patents stripe