CID 390280

Nsc687572

Structural Information

Molecular Formula
C21H16N4O5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)OC)C#N)O
InChI
InChI=1S/C21H16N4O5S/c1-13-3-9-16(10-4-13)31(28,29)24-25-20(26)17(11-22)19(18(12-23)21(25)27)14-5-7-15(30-2)8-6-14/h3-10,24,26H,1-2H3
InChIKey
JVFSFNVFNFLTKC-UHFFFAOYSA-N
Compound name
N-[3,5-dicyano-2-hydroxy-4-(4-methoxyphenyl)-6-oxopyridin-1-yl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.08414 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.09142 216.3
[M+Na]+ 459.07336 226.6
[M-H]- 435.07686 220.8
[M+NH4]+ 454.11796 220.7
[M+K]+ 475.04730 221.1
[M+H-H2O]+ 419.08140 198.6
[M+HCOO]- 481.08234 222.6
[M+CH3COO]- 495.09799 243.9
[M+Na-2H]- 457.05881 213.3
[M]+ 436.08359 210.6
[M]- 436.08469 210.6
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.