CID 390279

Nsc687571

Structural Information

Molecular Formula
C26H18N4O4S
SMILES
COC1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)C3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4)C#N
InChI
InChI=1S/C26H18N4O4S/c1-34-20-14-12-18(13-15-20)24-22(16-27)25(19-8-4-2-5-9-19)30(26(31)23(24)17-28)29-35(32,33)21-10-6-3-7-11-21/h2-15,29H,1H3
InChIKey
JZQSHLYVQKSOGS-UHFFFAOYSA-N
Compound name
N-[3,5-dicyano-4-(4-methoxyphenyl)-2-oxo-6-phenylpyridin-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.1049 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.11218 230.5
[M+Na]+ 505.09412 240.9
[M-H]- 481.09762 236.2
[M+NH4]+ 500.13872 233.4
[M+K]+ 521.06806 232.4
[M+H-H2O]+ 465.10216 211.4
[M+HCOO]- 527.10310 237.0
[M+CH3COO]- 541.11875 232.9
[M+Na-2H]- 503.07957 227.4
[M]+ 482.10435 223.7
[M]- 482.10545 223.7
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.