CID 135399304

Oprea1_448935

Structural Information

Molecular Formula
C20H17N5O5S
SMILES
COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N=C3C4=CC=CC=C4NC3=O
InChI
InChI=1S/C20H17N5O5S/c1-29-17-18(21-11-22-20(17)30-2)25-31(27,28)13-9-7-12(8-10-13)23-16-14-5-3-4-6-15(14)24-19(16)26/h3-11H,1-2H3,(H,21,22,25)(H,23,24,26)
InChIKey
HZCIEEYWXOBHEK-UHFFFAOYSA-N
Compound name
N-(5,6-dimethoxypyrimidin-4-yl)-4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

439.09503 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.10231 200.8
[M+Na]+ 462.08425 209.4
[M-H]- 438.08775 208.5
[M+NH4]+ 457.12885 208.4
[M+K]+ 478.05819 203.7
[M+H-H2O]+ 422.09229 191.0
[M+HCOO]- 484.09323 216.6
[M+CH3COO]- 498.10888 229.5
[M+Na-2H]- 460.06970 205.2
[M]+ 439.09448 205.4
[M]- 439.09558 205.4
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.