CID 390300

Nsc687592

Structural Information

Molecular Formula
C28H22N4O4S
SMILES
CC1=CC=C(C=C1)C2=C(C(=C(C(=O)N2NS(=O)(=O)C3=CC=C(C=C3)C)C#N)C4=CC=C(C=C4)OC)C#N
InChI
InChI=1S/C28H22N4O4S/c1-18-4-8-21(9-5-18)27-24(16-29)26(20-10-12-22(36-3)13-11-20)25(17-30)28(33)32(27)31-37(34,35)23-14-6-19(2)7-15-23/h4-15,31H,1-3H3
InChIKey
PQGVEWHCSXFGNX-UHFFFAOYSA-N
Compound name
N-[3,5-dicyano-4-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxopyridin-1-yl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.13617 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.14345 235.8
[M+Na]+ 533.12539 246.4
[M-H]- 509.12889 241.8
[M+NH4]+ 528.16999 238.2
[M+K]+ 549.09933 238.2
[M+H-H2O]+ 493.13343 216.7
[M+HCOO]- 555.13437 241.8
[M+CH3COO]- 569.15002 255.0
[M+Na-2H]- 531.11084 231.2
[M]+ 510.13562 230.0
[M]- 510.13672 230.0
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.