CID 406047

Nsc723929

Structural Information

Molecular Formula
C22H19N5O4S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=C3C4=CC=CC=C4N(C3=O)C(=O)C)C
InChI
InChI=1S/C22H19N5O4S/c1-13-12-14(2)24-22(23-13)26-32(30,31)17-10-8-16(9-11-17)25-20-18-6-4-5-7-19(18)27(15(3)28)21(20)29/h4-12H,1-3H3,(H,23,24,26)
InChIKey
ITJHCSIKHAPLTF-UHFFFAOYSA-N
Compound name
4-[(1-acetyl-2-oxoindol-3-ylidene)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

449.11578 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.12306 208.1
[M+Na]+ 472.10500 217.4
[M-H]- 448.10850 217.3
[M+NH4]+ 467.14960 216.3
[M+K]+ 488.07894 211.4
[M+H-H2O]+ 432.11304 198.3
[M+HCOO]- 494.11398 223.6
[M+CH3COO]- 508.12963 235.9
[M+Na-2H]- 470.09045 209.7
[M]+ 449.11523 212.9
[M]- 449.11633 212.9
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

No patent data available for this compound.