CID 1550585

Nsc706209

Structural Information

Molecular Formula
C16H15NOS2
SMILES
CN1C/C(=C/C2=CC=CS2)/C(=O)/C(=C\C3=CC=CS3)/C1
InChI
InChI=1S/C16H15NOS2/c1-17-10-12(8-14-4-2-6-19-14)16(18)13(11-17)9-15-5-3-7-20-15/h2-9H,10-11H2,1H3/b12-8-,13-9-
InChIKey
PLOKQQNJVRLWES-JMVBYTIWSA-N
Compound name
(3Z,5Z)-1-methyl-3,5-bis(thiophen-2-ylmethylidene)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

3
Patents

301.0595 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.06678 170.5
[M+Na]+ 324.04872 181.0
[M-H]- 300.05222 179.9
[M+NH4]+ 319.09332 189.5
[M+K]+ 340.02266 174.2
[M+H-H2O]+ 284.05676 164.8
[M+HCOO]- 346.05770 184.1
[M+CH3COO]- 360.07335 182.6
[M+Na-2H]- 322.03417 165.6
[M]+ 301.05895 171.7
[M]- 301.06005 171.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.