CID 6447133

72051-63-9

Structural Information

Molecular Formula
C15H22N4O2S2
SMILES
CCN(CC)C/C=C/1\CN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C15H22N4O2S2/c1-3-19(4-2)10-9-13-11-17-15(22-13)18-23(20,21)14-7-5-12(16)6-8-14/h5-9H,3-4,10-11,16H2,1-2H3,(H,17,18)/b13-9+
InChIKey
TWUVTWGDJCVDOY-UKTHLTGXSA-N
Compound name
4-amino-N-[(5E)-5-[2-(diethylamino)ethylidene]-4H-1,3-thiazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.1184 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.12568 181.5
[M+Na]+ 377.10762 187.2
[M-H]- 353.11112 186.9
[M+NH4]+ 372.15222 195.1
[M+K]+ 393.08156 181.5
[M+H-H2O]+ 337.11566 173.4
[M+HCOO]- 399.11660 194.9
[M+CH3COO]- 413.13225 216.6
[M+Na-2H]- 375.09307 181.4
[M]+ 354.11785 182.8
[M]- 354.11895 182.8
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.