CID 21149953

Ahr 346

Structural Information

Molecular Formula
C24H27NO3
SMILES
C1CCC(CC1)C2=C3C(C4=CC=CC=C4OC3=CC(=C2)N5CCCC5)C(=O)O
InChI
InChI=1S/C24H27NO3/c26-24(27)23-18-10-4-5-11-20(18)28-21-15-17(25-12-6-7-13-25)14-19(22(21)23)16-8-2-1-3-9-16/h4-5,10-11,14-16,23H,1-3,6-9,12-13H2,(H,26,27)
InChIKey
APXZFWXOYUFKAT-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.1991 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.20638 190.5
[M+Na]+ 400.18832 193.3
[M-H]- 376.19182 198.0
[M+NH4]+ 395.23292 201.6
[M+K]+ 416.16226 188.3
[M+H-H2O]+ 360.19636 180.7
[M+HCOO]- 422.19730 200.0
[M+CH3COO]- 436.21295 197.8
[M+Na-2H]- 398.17377 188.5
[M]+ 377.19855 183.5
[M]- 377.19965 183.5
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.