CID 213551

26723-07-9

Structural Information

Molecular Formula
C14H14N2O2S
SMILES
CCC1(CC(C(=O)NC1=O)SC#N)C2=CC=CC=C2
InChI
InChI=1S/C14H14N2O2S/c1-2-14(10-6-4-3-5-7-10)8-11(19-9-15)12(17)16-13(14)18/h3-7,11H,2,8H2,1H3,(H,16,17,18)
InChIKey
CVFPKDGHOZFUDV-UHFFFAOYSA-N
Compound name
(5-ethyl-2,6-dioxo-5-phenylpiperidin-3-yl) thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0776 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.084876 164.8
[M+Na]+ 297.066818 174.8
[M-H]- 273.070324 168.4
[M+NH4]+ 292.111423 180.0
[M+K]+ 313.040758 168.4
[M+H-H2O]+ 257.074860 152.0
[M+HCOO]- 319.075801 175.1
[M+CH3COO]- 333.091451 204.4
[M+Na-2H]- 295.052266 165.9
[M]+ 274.07705142 158.7
[M]- 274.07814858 158.7
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.