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]+ 280.133196 162.1
[M+Na]+ 302.115138 171.7
[M-H]- 278.118644 170.2
[M+NH4]+ 297.159743 179.2
[M+K]+ 318.089078 167.1
[M+H-H2O]+ 262.123180 153.8
[M+HCOO]- 324.124121 182.3
[M+CH3COO]- 338.139771 174.7
[M+Na-2H]- 300.100586 168.3
[M]+ 279.12537142 163.6
[M]- 279.12646858 163.6
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.