CID 300215

39593-88-9

Structural Information

Molecular Formula
C28H28N2OS
SMILES
CC1C(N(SC12C3=CC=CC=C3C4=CC=CC=C24)C(=O)C5=CC=CC=C5)N6CCCCC6
InChI
InChI=1S/C28H28N2OS/c1-20-26(29-18-10-3-11-19-29)30(27(31)21-12-4-2-5-13-21)32-28(20)24-16-8-6-14-22(24)23-15-7-9-17-25(23)28/h2,4-9,12-17,20,26H,3,10-11,18-19H2,1H3
InChIKey
WHPNCDMCMIKLHD-UHFFFAOYSA-N
Compound name
(4-methyl-3-piperidin-1-ylspiro[1,2-thiazolidine-5,9'-fluorene]-2-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.19223 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.19951 208.9
[M+Na]+ 463.18145 215.5
[M-H]- 439.18495 219.1
[M+NH4]+ 458.22605 223.4
[M+K]+ 479.15539 207.8
[M+H-H2O]+ 423.18949 199.1
[M+HCOO]- 485.19043 217.5
[M+CH3COO]- 499.20608 216.6
[M+Na-2H]- 461.16690 204.2
[M]+ 440.19168 206.2
[M]- 440.19278 206.2
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.