CID 3062434

Am 233

Structural Information

Molecular Formula
C17H23NO2S
SMILES
CSCCN1C2CCC1CC(C2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H23NO2S/c1-21-10-9-18-14-7-8-15(18)12-16(11-14)20-17(19)13-5-3-2-4-6-13/h2-6,14-16H,7-12H2,1H3
InChIKey
YOOANGFSZDWGPV-UHFFFAOYSA-N
Compound name
[8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.14496 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.15224 171.3
[M+Na]+ 328.13418 181.5
[M+NH4]+ 323.17878 180.3
[M+K]+ 344.10812 173.9
[M-H]- 304.13768 173.8
[M+Na-2H]- 326.11963 174.3
[M]+ 305.14441 173.8
[M]- 305.14551 173.8
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.