CID 3035123

64036-47-1

Structural Information

Molecular Formula
C19H17NOS
SMILES
C1CC2=CC=CC=C2C3(CCC(=O)NC3=S)C4=CC=CC=C41
InChI
InChI=1S/C19H17NOS/c21-17-11-12-19(18(22)20-17)15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)19/h1-8H,9-12H2,(H,20,21,22)
InChIKey
GQVUYVZMHLQIRT-UHFFFAOYSA-N
Compound name
6-sulfanylidenespiro[piperidine-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1031 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.11038 169.6
[M+Na]+ 330.09232 181.8
[M+NH4]+ 325.13692 180.0
[M+K]+ 346.06626 170.8
[M-H]- 306.09582 173.7
[M+Na-2H]- 328.07777 176.7
[M]+ 307.10255 173.3
[M]- 307.10365 173.3
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.