CID 113824

63732-13-8

Structural Information

Molecular Formula
C16H23NS2
SMILES
CCN(CC)C(C)CC(C1=CC=CS1)C2=CC=CS2
InChI
InChI=1S/C16H23NS2/c1-4-17(5-2)13(3)12-14(15-8-6-10-18-15)16-9-7-11-19-16/h6-11,13-14H,4-5,12H2,1-3H3
InChIKey
JXFHHJCGBVADGV-UHFFFAOYSA-N
Compound name
N,N-diethyl-4,4-dithiophen-2-ylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1272 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13448 172.5
[M+Na]+ 316.11642 179.3
[M-H]- 292.11992 180.8
[M+NH4]+ 311.16102 192.8
[M+K]+ 332.09036 176.0
[M+H-H2O]+ 276.12446 165.9
[M+HCOO]- 338.12540 187.8
[M+CH3COO]- 352.14105 206.0
[M+Na-2H]- 314.10187 168.1
[M]+ 293.12665 178.5
[M]- 293.12775 178.5
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.