CID 58516166

Af-710b

Structural Information

Molecular Formula
C20H27N3OS
SMILES
CC1N(CC2(S1)CCN(CC2)C)C(=O)CCC3=CNC4=CC=CC=C43
InChI
InChI=1S/C20H27N3OS/c1-15-23(14-20(25-15)9-11-22(2)12-10-20)19(24)8-7-16-13-21-18-6-4-3-5-17(16)18/h3-6,13,15,21H,7-12,14H2,1-2H3
InChIKey
XWMHYQATSBWUNT-UHFFFAOYSA-N
Compound name
1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)-3-(1H-indol-3-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

45
Patents

357.18747 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.19475 185.1
[M+Na]+ 380.17669 195.8
[M+NH4]+ 375.22129 194.4
[M+K]+ 396.15063 188.4
[M-H]- 356.18019 188.1
[M+Na-2H]- 378.16214 190.3
[M]+ 357.18692 188.0
[M]- 357.18802 188.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe