CID 217017

38020-47-2

Structural Information

Molecular Formula
C27H34N2O4
SMILES
C1CCN(CC1)CCOC2=CC3=C(C=C2)C(=O)C4=C(O3)C=C(C=C4)OCCN5CCCCC5
InChI
InChI=1S/C27H34N2O4/c30-27-23-9-7-21(31-17-15-28-11-3-1-4-12-28)19-25(23)33-26-20-22(8-10-24(26)27)32-18-16-29-13-5-2-6-14-29/h7-10,19-20H,1-6,11-18H2
InChIKey
ONSDKIXVFSBVLU-UHFFFAOYSA-N
Compound name
3,6-bis(2-piperidin-1-ylethoxy)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

450.25186 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.25914 212.9
[M+Na]+ 473.24108 227.8
[M+NH4]+ 468.28568 220.3
[M+K]+ 489.21502 218.0
[M-H]- 449.24458 220.4
[M+Na-2H]- 471.22653 219.0
[M]+ 450.25131 217.3
[M]- 450.25241 217.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe