CID 5327097

4-[(5-isopropyl-1,3-thiazol-2-yl)amino]benzenesulfonamide

Structural Information

Molecular Formula
C12H15N3O2S2
SMILES
CC(C)C1=CN=C(S1)NC2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C12H15N3O2S2/c1-8(2)11-7-14-12(18-11)15-9-3-5-10(6-4-9)19(13,16)17/h3-8H,1-2H3,(H,14,15)(H2,13,16,17)
InChIKey
LPQUJAANWFHCJV-UHFFFAOYSA-N
Compound name
4-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

297.06058 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.06786 165.4
[M+Na]+ 320.04980 173.6
[M-H]- 296.05330 170.6
[M+NH4]+ 315.09440 181.0
[M+K]+ 336.02374 168.1
[M+H-H2O]+ 280.05784 158.5
[M+HCOO]- 342.05878 178.6
[M+CH3COO]- 356.07443 202.1
[M+Na-2H]- 318.03525 166.0
[M]+ 297.06003 166.8
[M]- 297.06113 166.8
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

patents stripe