CID 3055033

71933-40-9

Structural Information

Molecular Formula
C13H18N4O2S2
SMILES
CN(C)CCC1=CN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H18N4O2S2/c1-17(2)8-7-11-9-15-13(20-11)16-21(18,19)12-5-3-10(14)4-6-12/h3-6,9H,7-8,14H2,1-2H3,(H,15,16)
InChIKey
SVPXAMHVSMMWBM-UHFFFAOYSA-N
Compound name
4-amino-N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.08713 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.094406 172.5
[M+Na]+ 349.076348 179.7
[M-H]- 325.079854 178.6
[M+NH4]+ 344.120953 187.2
[M+K]+ 365.050288 174.6
[M+H-H2O]+ 309.084390 164.5
[M+HCOO]- 371.085331 187.6
[M+CH3COO]- 385.100981 212.4
[M+Na-2H]- 347.061796 174.0
[M]+ 326.08658142 175.2
[M]- 326.08767858 175.2
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.