CID 24847688

Brl 448

Structural Information

Molecular Formula
C21H23NO3
SMILES
CN1CCCC1CCOC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24
InChI
InChI=1S/C21H23NO3/c1-22-13-6-7-15(22)12-14-24-21(23)20-16-8-2-4-10-18(16)25-19-11-5-3-9-17(19)20/h2-5,8-11,15,20H,6-7,12-14H2,1H3
InChIKey
HIYKMHGLFQZLMD-UHFFFAOYSA-N
Compound name
2-(1-methylpyrrolidin-2-yl)ethyl 9H-xanthene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1678 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.17508 180.9
[M+Na]+ 360.15702 186.5
[M-H]- 336.16052 187.7
[M+NH4]+ 355.20162 195.2
[M+K]+ 376.13096 182.9
[M+H-H2O]+ 320.16506 172.1
[M+HCOO]- 382.16600 196.2
[M+CH3COO]- 396.18165 190.7
[M+Na-2H]- 358.14247 182.5
[M]+ 337.16725 181.2
[M]- 337.16835 181.2
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.