CID 390299

Nsc687591

Structural Information

Molecular Formula
C27H20N4O4S
SMILES
CC1=CC=C(C=C1)C2=C(C(=C(C(=O)N2NS(=O)(=O)C3=CC=CC=C3)C#N)C4=CC=C(C=C4)OC)C#N
InChI
InChI=1S/C27H20N4O4S/c1-18-8-10-20(11-9-18)26-23(16-28)25(19-12-14-21(35-2)15-13-19)24(17-29)27(32)31(26)30-36(33,34)22-6-4-3-5-7-22/h3-15,30H,1-2H3
InChIKey
DZIYMUFCGHFCAI-UHFFFAOYSA-N
Compound name
N-[3,5-dicyano-4-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxopyridin-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.1205 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.12778 233.2
[M+Na]+ 519.10972 243.7
[M-H]- 495.11322 239.0
[M+NH4]+ 514.15432 235.9
[M+K]+ 535.08366 235.4
[M+H-H2O]+ 479.11776 214.1
[M+HCOO]- 541.11870 239.5
[M+CH3COO]- 555.13435 252.3
[M+Na-2H]- 517.09517 229.4
[M]+ 496.11995 226.9
[M]- 496.12105 226.9
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.