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 178.1
[M+Na]+ 348.15702 183.4
[M-H]- 324.16052 184.4
[M+NH4]+ 343.20162 193.0
[M+K]+ 364.13096 181.6
[M+H-H2O]+ 308.16506 169.4
[M+HCOO]- 370.16600 197.4
[M+CH3COO]- 384.18165 216.0
[M+Na-2H]- 346.14247 183.4
[M]+ 325.16725 182.4
[M]- 325.16835 182.4
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

patents stripe