CID 5470913

Nsc706210

Structural Information

Molecular Formula
C16H17NOS2
SMILES
CN1C/C(=C\C2=CC=CS2)/C(/C(=C/C3=CC=CS3)/C1)O
InChI
InChI=1S/C16H17NOS2/c1-17-10-12(8-14-4-2-6-19-14)16(18)13(11-17)9-15-5-3-7-20-15/h2-9,16,18H,10-11H2,1H3/b12-8+,13-9+
InChIKey
RVAIPRMTUHGUHJ-QHKWOANTSA-N
Compound name
(3E,5E)-1-methyl-3,5-bis(thiophen-2-ylmethylidene)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.07516 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.08244 170.2
[M+Na]+ 326.06438 179.9
[M-H]- 302.06788 178.1
[M+NH4]+ 321.10898 188.4
[M+K]+ 342.03832 172.8
[M+H-H2O]+ 286.07242 164.7
[M+HCOO]- 348.07336 182.1
[M+CH3COO]- 362.08901 181.6
[M+Na-2H]- 324.04983 165.1
[M]+ 303.07461 170.3
[M]- 303.07571 170.3
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.