CID 470205

Oprea1_580120

Structural Information

Molecular Formula
C25H26N6O6S
SMILES
COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N=C3C4=CC=CC=C4N(C3=O)CN5CCOCC5
InChI
InChI=1S/C25H26N6O6S/c1-35-22-23(26-15-27-24(22)36-2)29-38(33,34)18-9-7-17(8-10-18)28-21-19-5-3-4-6-20(19)31(25(21)32)16-30-11-13-37-14-12-30/h3-10,15H,11-14,16H2,1-2H3,(H,26,27,29)
InChIKey
LFRJTRDEYKZQJD-UHFFFAOYSA-N
Compound name
N-(5,6-dimethoxypyrimidin-4-yl)-4-[[1-(morpholin-4-ylmethyl)-2-oxoindol-3-ylidene]amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

538.16345 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.17073 224.7
[M+Na]+ 561.15267 230.4
[M-H]- 537.15617 234.8
[M+NH4]+ 556.19727 225.4
[M+K]+ 577.12661 226.3
[M+H-H2O]+ 521.16071 212.8
[M+HCOO]- 583.16165 235.3
[M+CH3COO]- 597.17730 230.7
[M+Na-2H]- 559.13812 226.7
[M]+ 538.16290 228.5
[M]- 538.16400 228.5
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.