CID 206213

43159-88-2

Structural Information

Molecular Formula
C19H18ClNO2
SMILES
C1CCN(CC1)CC2=C(C=CC3=C2OC4=CC=CC=C4C3=O)Cl
InChI
InChI=1S/C19H18ClNO2/c20-16-9-8-14-18(22)13-6-2-3-7-17(13)23-19(14)15(16)12-21-10-4-1-5-11-21/h2-3,6-9H,1,4-5,10-12H2
InChIKey
BWNCIPVTKJDFEC-UHFFFAOYSA-N
Compound name
3-chloro-4-(piperidin-1-ylmethyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.1026 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.10988 174.3
[M+Na]+ 350.09182 184.1
[M-H]- 326.09532 181.6
[M+NH4]+ 345.13642 188.4
[M+K]+ 366.06576 178.0
[M+H-H2O]+ 310.09986 165.0
[M+HCOO]- 372.10080 187.0
[M+CH3COO]- 386.11645 185.3
[M+Na-2H]- 348.07727 180.5
[M]+ 327.10205 176.5
[M]- 327.10315 176.5
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.