CID 377779

Nsc659383

Structural Information

Molecular Formula
C18H19N5O3S2
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NC(=C(S3)C(=O)C)C)C
InChI
InChI=1S/C18H19N5O3S2/c1-10-9-11(2)20-17(19-10)23-28(25,26)15-7-5-14(6-8-15)22-18-21-12(3)16(27-18)13(4)24/h5-9H,1-4H3,(H,21,22)(H,19,20,23)
InChIKey
SOZHFMLABRLIKH-UHFFFAOYSA-N
Compound name
4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.09293 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.10021 196.5
[M+Na]+ 440.08215 205.9
[M-H]- 416.08565 203.4
[M+NH4]+ 435.12675 205.1
[M+K]+ 456.05609 198.6
[M+H-H2O]+ 400.09019 188.0
[M+HCOO]- 462.09113 207.9
[M+CH3COO]- 476.10678 226.6
[M+Na-2H]- 438.06760 196.7
[M]+ 417.09238 201.2
[M]- 417.09348 201.2
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.