CID 215115

35012-52-3

Structural Information

Molecular Formula
C16H19NOS2
SMILES
CN1CC(CC(=C(C2=CC=CS2)C3=CC=CS3)C1)OC
InChI
InChI=1S/C16H19NOS2/c1-17-10-12(9-13(11-17)18-2)16(14-5-3-7-19-14)15-6-4-8-20-15/h3-8,13H,9-11H2,1-2H3
InChIKey
CDLDDIHSXRLVEM-UHFFFAOYSA-N
Compound name
3-(dithiophen-2-ylmethylidene)-5-methoxy-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

305.09082 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.09810 171.0
[M+Na]+ 328.08004 179.6
[M-H]- 304.08354 180.0
[M+NH4]+ 323.12464 189.5
[M+K]+ 344.05398 174.6
[M+H-H2O]+ 288.08808 165.0
[M+HCOO]- 350.08902 183.2
[M+CH3COO]- 364.10467 182.6
[M+Na-2H]- 326.06549 166.0
[M]+ 305.09027 172.7
[M]- 305.09137 172.7
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

patents stripe