CID 3073905

153804-28-5

Structural Information

Molecular Formula
C22H29NO3S
SMILES
C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCOC3=CC=CC4=C3SCCC4
InChI
InChI=1S/C22H29NO3S/c24-19-15-22(10-1-2-11-22)16-20(25)23(19)12-3-4-13-26-18-9-5-7-17-8-6-14-27-21(17)18/h5,7,9H,1-4,6,8,10-16H2
InChIKey
SKYZDNPLWJRXEB-UHFFFAOYSA-N
Compound name
8-[4-(3,4-dihydro-2H-thiochromen-8-yloxy)butyl]-8-azaspiro[4.5]decane-7,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

387.18683 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.19411 193.9
[M+Na]+ 410.17605 197.5
[M-H]- 386.17955 199.9
[M+NH4]+ 405.22065 209.1
[M+K]+ 426.14999 192.1
[M+H-H2O]+ 370.18409 185.4
[M+HCOO]- 432.18503 202.3
[M+CH3COO]- 446.20068 201.5
[M+Na-2H]- 408.16150 191.2
[M]+ 387.18628 191.0
[M]- 387.18738 191.0
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

patents stripe