CID 6447119

Beta-diethylaminoethylidene-5 p-toluenesulfonylamido-2 delta(sup 2)-thiazoline [french]

Structural Information

Molecular Formula
C16H23N3O2S2
SMILES
CCN(CC)C/C=C/1\CN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C16H23N3O2S2/c1-4-19(5-2)11-10-14-12-17-16(22-14)18-23(20,21)15-8-6-13(3)7-9-15/h6-10H,4-5,11-12H2,1-3H3,(H,17,18)/b14-10+
InChIKey
HRJPXRDNRGRPKH-GXDHUFHOSA-N
Compound name
N-[(5E)-5-[2-(diethylamino)ethylidene]-4H-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.12317 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.13045 183.3
[M+Na]+ 376.11239 189.6
[M-H]- 352.11589 189.4
[M+NH4]+ 371.15699 197.7
[M+K]+ 392.08633 184.1
[M+H-H2O]+ 336.12043 175.5
[M+HCOO]- 398.12137 196.1
[M+CH3COO]- 412.13702 215.0
[M+Na-2H]- 374.09784 182.6
[M]+ 353.12262 186.7
[M]- 353.12372 186.7
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

No patent data available for this compound.