CID 6449520

Brn 4236259

Structural Information

Molecular Formula
C14H17N3OS2
SMILES
C1CCC2(CC1)N(N=C(S2)N)/C=C/C(=O)C3=CC=CS3
InChI
InChI=1S/C14H17N3OS2/c15-13-16-17(14(20-13)7-2-1-3-8-14)9-6-11(18)12-5-4-10-19-12/h4-6,9-10H,1-3,7-8H2,(H2,15,16)/b9-6+
InChIKey
WZFAHYFCSLMIPC-RMKNXTFCSA-N
Compound name
(E)-3-(2-amino-1-thia-3,4-diazaspiro[4.5]dec-2-en-4-yl)-1-thiophen-2-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.0813 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.08858 168.6
[M+Na]+ 330.07052 175.8
[M-H]- 306.07402 173.8
[M+NH4]+ 325.11512 186.9
[M+K]+ 346.04446 170.7
[M+H-H2O]+ 290.07856 162.5
[M+HCOO]- 352.07950 177.8
[M+CH3COO]- 366.09515 178.6
[M+Na-2H]- 328.05597 165.7
[M]+ 307.08075 165.8
[M]- 307.08185 165.8
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.