CID 3055039

Benzenesulfonamide, n-(5-(2-(dimethylamino)ethyl)-2-thiazolyl)-4-methyl-, monohydrochloride

Structural Information

Molecular Formula
C14H19N3O2S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(S2)CCN(C)C
InChI
InChI=1S/C14H19N3O2S2/c1-11-4-6-13(7-5-11)21(18,19)16-14-15-10-12(20-14)8-9-17(2)3/h4-7,10H,8-9H2,1-3H3,(H,15,16)
InChIKey
NHMYNMWTEXVKMZ-UHFFFAOYSA-N
Compound name
N-[5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.09186 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.09914 174.1
[M+Na]+ 348.08108 182.0
[M-H]- 324.08458 181.0
[M+NH4]+ 343.12568 189.7
[M+K]+ 364.05502 177.2
[M+H-H2O]+ 308.08912 166.5
[M+HCOO]- 370.09006 188.8
[M+CH3COO]- 384.10571 210.9
[M+Na-2H]- 346.06653 175.1
[M]+ 325.09131 179.1
[M]- 325.09241 179.1
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.