CID 6283189

Brn 4235812

Structural Information

Molecular Formula
C16H19N3OS
SMILES
C1CCC2(CC1)N(N=C(S2)N)/C=C/C(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H19N3OS/c17-15-18-19(16(21-15)10-5-2-6-11-16)12-9-14(20)13-7-3-1-4-8-13/h1,3-4,7-9,12H,2,5-6,10-11H2,(H2,17,18)/b12-9+
InChIKey
BBFZOBIBVXYMOL-FMIVXFBMSA-N
Compound name
(E)-3-(2-amino-1-thia-3,4-diazaspiro[4.5]dec-2-en-4-yl)-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.12488 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.13216 169.1
[M+Na]+ 324.11410 179.1
[M+NH4]+ 319.15870 178.3
[M+K]+ 340.08804 170.3
[M-H]- 300.11760 172.9
[M+Na-2H]- 322.09955 176.5
[M]+ 301.12433 171.9
[M]- 301.12543 171.9
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.