CID 3055034

71933-41-0

Structural Information

Molecular Formula
C15H22N4O2S2
SMILES
CCN(CC)CCC1=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/h5-8,11H,3-4,9-10,16H2,1-2H3,(H,17,18)
InChIKey
IFCJACHSHHEHIX-UHFFFAOYSA-N
Compound name
4-amino-N-[5-[2-(diethylamino)ethyl]-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

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.12568 180.5
[M+Na]+ 377.10762 186.8
[M-H]- 353.11112 186.3
[M+NH4]+ 372.15222 194.1
[M+K]+ 393.08156 181.4
[M+H-H2O]+ 337.11566 172.2
[M+HCOO]- 399.11660 195.1
[M+CH3COO]- 413.13225 218.3
[M+Na-2H]- 375.09307 181.3
[M]+ 354.11785 183.9
[M]- 354.11895 184.0
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.