CID 471774

Chembl355016

Structural Information

Molecular Formula
C19H16N4O3S2
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4S3)C
InChI
InChI=1S/C19H16N4O3S2/c1-12-11-13(2)21-19(20-12)22-28(25,26)15-9-7-14(8-10-15)23-18(24)16-5-3-4-6-17(16)27-23/h3-11H,1-2H3,(H,20,21,22)
InChIKey
WXHHILIQLACRIA-UHFFFAOYSA-N
Compound name
N-(4,6-dimethylpyrimidin-2-yl)-4-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

412.06638 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.07366 196.0
[M+Na]+ 435.05560 208.9
[M-H]- 411.05910 204.3
[M+NH4]+ 430.10020 206.2
[M+K]+ 451.02954 200.6
[M+H-H2O]+ 395.06364 187.9
[M+HCOO]- 457.06458 208.5
[M+CH3COO]- 471.08023 206.2
[M+Na-2H]- 433.04105 199.4
[M]+ 412.06583 202.7
[M]- 412.06693 202.7
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.