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 171.8
[M+Na]+ 330.09232 178.3
[M-H]- 306.09582 176.8
[M+NH4]+ 325.13692 188.2
[M+K]+ 346.06626 174.5
[M+H-H2O]+ 290.10036 165.3
[M+HCOO]- 352.10130 181.0
[M+CH3COO]- 366.11695 180.8
[M+Na-2H]- 328.07777 175.4
[M]+ 307.10255 164.9
[M]- 307.10365 164.9
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.