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]+ 327.09441 172.5
[M+Na]+ 349.07635 179.7
[M-H]- 325.07985 178.6
[M+NH4]+ 344.12095 187.2
[M+K]+ 365.05029 174.6
[M+H-H2O]+ 309.08439 164.5
[M+HCOO]- 371.08533 187.6
[M+CH3COO]- 385.10098 212.4
[M+Na-2H]- 347.06180 174.0
[M]+ 326.08658 175.2
[M]- 326.08768 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.