CID 207153

Xanthen-9-one, 4-pyrrolidinylmethyl-, hydrochloride

Structural Information

Molecular Formula
C18H17NO2
SMILES
C1CCN(C1)CC2=C3C(=CC=C2)C(=O)C4=CC=CC=C4O3
InChI
InChI=1S/C18H17NO2/c20-17-14-7-1-2-9-16(14)21-18-13(6-5-8-15(17)18)12-19-10-3-4-11-19/h1-2,5-9H,3-4,10-12H2
InChIKey
ZELYGEPXMCLQDH-UHFFFAOYSA-N
Compound name
4-(pyrrolidin-1-ylmethyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.12592 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13320 162.5
[M+Na]+ 302.11514 179.1
[M+NH4]+ 297.15974 172.4
[M+K]+ 318.08908 171.9
[M-H]- 278.11864 169.2
[M+Na-2H]- 300.10059 170.4
[M]+ 279.12537 167.0
[M]- 279.12647 167.0
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.