CID 46424

Ethylmethylthiambutene

Structural Information

Molecular Formula
C15H19NS2
SMILES
CCN(C)C(C)C=C(C1=CC=CS1)C2=CC=CS2
InChI
InChI=1S/C15H19NS2/c1-4-16(3)12(2)11-13(14-7-5-9-17-14)15-8-6-10-18-15/h5-12H,4H2,1-3H3
InChIKey
MORSAEFGQPDBKM-UHFFFAOYSA-N
Compound name
N-ethyl-N-methyl-4,4-dithiophen-2-ylbut-3-en-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6825
Patents

277.0959 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.10318 164.2
[M+Na]+ 300.08512 173.6
[M+NH4]+ 295.12972 173.7
[M+K]+ 316.05906 166.5
[M-H]- 276.08862 168.8
[M+Na-2H]- 298.07057 170.1
[M]+ 277.09535 167.7
[M]- 277.09645 167.7
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

patents stripe