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 180.1
[M+Na]+ 360.15702 188.6
[M-H]- 336.16052 188.0
[M+NH4]+ 355.20162 194.8
[M+K]+ 376.13096 184.6
[M+H-H2O]+ 320.16506 171.4
[M+HCOO]- 382.16600 198.2
[M+CH3COO]- 396.18165 191.2
[M+Na-2H]- 358.14247 182.8
[M]+ 337.16725 183.8
[M]- 337.16835 183.8
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.