CID 471770

Chembl353103

Structural Information

Molecular Formula
C18H14N4O3S2
SMILES
CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4S3
InChI
InChI=1S/C18H14N4O3S2/c1-12-10-11-19-18(20-12)21-27(24,25)14-8-6-13(7-9-14)22-17(23)15-4-2-3-5-16(15)26-22/h2-11H,1H3,(H,19,20,21)
InChIKey
SQIFHLGYGODHJF-UHFFFAOYSA-N
Compound name
N-(4-methylpyrimidin-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

398.05072 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.05800 191.1
[M+Na]+ 421.03994 203.9
[M-H]- 397.04344 199.3
[M+NH4]+ 416.08454 201.8
[M+K]+ 437.01388 195.8
[M+H-H2O]+ 381.04798 183.2
[M+HCOO]- 443.04892 204.1
[M+CH3COO]- 457.06457 201.6
[M+Na-2H]- 419.02539 195.7
[M]+ 398.05017 197.2
[M]- 398.05127 197.2
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.