CID 223178

Nsc10552

Structural Information

Molecular Formula
C11H15N3O2S2
SMILES
CCC1CSC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C11H15N3O2S2/c1-2-9-7-17-11(13-9)14-18(15,16)10-5-3-8(12)4-6-10/h3-6,9H,2,7,12H2,1H3,(H,13,14)
InChIKey
ZLQKLYQOJPEFTB-UHFFFAOYSA-N
Compound name
4-amino-N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.06058 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.06786 161.9
[M+Na]+ 308.04980 170.1
[M-H]- 284.05330 166.8
[M+NH4]+ 303.09440 178.2
[M+K]+ 324.02374 164.4
[M+H-H2O]+ 268.05784 155.2
[M+HCOO]- 330.05878 175.1
[M+CH3COO]- 344.07443 198.0
[M+Na-2H]- 306.03525 163.1
[M]+ 285.06003 162.2
[M]- 285.06113 162.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.