CID 3041897

58741-69-8

Structural Information

Molecular Formula
C22H25NO3
SMILES
CC(C)OC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3O2)CN4CCCCC4
InChI
InChI=1S/C22H25NO3/c1-15(2)25-20-11-10-17-21(24)16-8-4-5-9-19(16)26-22(17)18(20)14-23-12-6-3-7-13-23/h4-5,8-11,15H,3,6-7,12-14H2,1-2H3
InChIKey
WBSZNCRGYRFXHL-UHFFFAOYSA-N
Compound name
4-(piperidin-1-ylmethyl)-3-propan-2-yloxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.18344 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.19072 184.4
[M+Na]+ 374.17266 191.4
[M-H]- 350.17616 191.4
[M+NH4]+ 369.21726 196.4
[M+K]+ 390.14660 187.4
[M+H-H2O]+ 334.18070 173.9
[M+HCOO]- 396.18164 199.7
[M+CH3COO]- 410.19729 194.1
[M+Na-2H]- 372.15811 188.5
[M]+ 351.18289 185.9
[M]- 351.18399 185.9
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.