CID 285455

Nsc142429

Structural Information

Molecular Formula
C21H19N5O4S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NCN3C(=O)C4=CC=CC=C4C3=O)C
InChI
InChI=1S/C21H19N5O4S/c1-13-11-14(2)24-21(23-13)25-31(29,30)16-9-7-15(8-10-16)22-12-26-19(27)17-5-3-4-6-18(17)20(26)28/h3-11,22H,12H2,1-2H3,(H,23,24,25)
InChIKey
JATYGGDULCVEBM-UHFFFAOYSA-N
Compound name
N-(4,6-dimethylpyrimidin-2-yl)-4-[(1,3-dioxoisoindol-2-yl)methylamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

437.11578 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.12306 203.6
[M+Na]+ 460.10500 212.9
[M-H]- 436.10850 211.5
[M+NH4]+ 455.14960 211.6
[M+K]+ 476.07894 206.2
[M+H-H2O]+ 420.11304 194.0
[M+HCOO]- 482.11398 218.9
[M+CH3COO]- 496.12963 232.0
[M+Na-2H]- 458.09045 206.4
[M]+ 437.11523 207.8
[M]- 437.11633 207.8
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

No patent data available for this compound.