CID 487903

Chembl3113375

Structural Information

Molecular Formula
C16H15N3O2S2
SMILES
C1=CC=C(C=C1)CNC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3
InChI
InChI=1S/C16H15N3O2S2/c20-23(21,19-16-17-10-11-22-16)15-8-6-14(7-9-15)18-12-13-4-2-1-3-5-13/h1-11,18H,12H2,(H,17,19)
InChIKey
NHOCYJOCDSTQFJ-UHFFFAOYSA-N
Compound name
4-(benzylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

10
Patents

345.06058 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.06786 176.1
[M+Na]+ 368.04980 184.2
[M-H]- 344.05330 184.5
[M+NH4]+ 363.09440 189.7
[M+K]+ 384.02374 177.1
[M+H-H2O]+ 328.05784 168.2
[M+HCOO]- 390.05878 191.7
[M+CH3COO]- 404.07443 186.7
[M+Na-2H]- 366.03525 180.4
[M]+ 345.06003 177.9
[M]- 345.06113 177.9
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