CID 3054395

N-(2-(diethylamino)ethyl)-s-phenyl-s-3-thienylsulfoximine

Structural Information

Molecular Formula
C16H22N2OS2
SMILES
CCN(CC)CCN=S(=O)(C1=CC=CC=C1)C2=CSC=C2
InChI
InChI=1S/C16H22N2OS2/c1-3-18(4-2)12-11-17-21(19,16-10-13-20-14-16)15-8-6-5-7-9-15/h5-10,13-14H,3-4,11-12H2,1-2H3
InChIKey
ALQHRCKXGLTZLI-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[(oxo-phenyl-thiophen-3-yl-lambda6-sulfanylidene)amino]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

322.11737 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.124646 176.9
[M+Na]+ 345.106588 183.2
[M-H]- 321.110094 185.5
[M+NH4]+ 340.151193 194.2
[M+K]+ 361.080528 178.5
[M+H-H2O]+ 305.114630 169.0
[M+HCOO]- 367.115571 193.5
[M+CH3COO]- 381.131221 211.7
[M+Na-2H]- 343.092036 178.1
[M]+ 322.11682142 181.7
[M]- 322.11791858 181.7
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