CID 3041896

58741-68-7

Structural Information

Molecular Formula
C21H23NO3
SMILES
CC(C)OC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3O2)CN4CCCC4
InChI
InChI=1S/C21H23NO3/c1-14(2)24-19-10-9-16-20(23)15-7-3-4-8-18(15)25-21(16)17(19)13-22-11-5-6-12-22/h3-4,7-10,14H,5-6,11-13H2,1-2H3
InChIKey
FALWNRZSXQOCFM-UHFFFAOYSA-N
Compound name
3-propan-2-yloxy-4-(pyrrolidin-1-ylmethyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1678 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.17508 179.1
[M+Na]+ 360.15702 194.5
[M+NH4]+ 355.20162 187.8
[M+K]+ 376.13096 188.2
[M-H]- 336.16052 185.1
[M+Na-2H]- 358.14247 185.2
[M]+ 337.16725 183.2
[M]- 337.16835 183.2
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.